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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
[(1R,2R)-2-hydroxy-3-oxo-1-[(10R,11R)-3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-8,14,26,31-tetraoxo-9,13,25,32-tetraoxaheptacyclo[25.8.0.02,7.015,20.021,30.024,29.028,33]pentatriaconta-1(35),2,4,6,15,17,19,21,23,27,29,33-dodecaen-10-yl]propyl] 3,4,5-trihydroxybenzoate
934.60
0.6
15
26
459.84
6
(2S,3S)-3-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
316.30
1.9
2
6
85.22
3
(1R,5S,8R,9S,12S,14S)-8,12-dimethyl-4-methylidene-2,13-dioxatetracyclo[7.5.0.01,5.012,14]tetradecan-3-one
248.32
2.6
0
3
38.83
0
(1S,2S,5R,7S,9R,10S,12S)-5-bromo-2,4,4,10-tetramethyl-3,8,14-trioxatetracyclo[7.3.1.17,10.02,7]tetradecan-12-ol
347.24
1.6
1
4
47.92
0
4-[(1S)-1-(2,4-dihydroxyphenyl)-2-(3,5-dihydroxyphenyl)ethyl]-6-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol
488.50
5
8
8
161.84
6
(10S)-5,7,8,15-tetrahydroxy-19,19-dimethyl-22-(3-methylbut-2-enyl)-10-prop-1-en-2-yl-2,20-dioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4(9),5,7,15,17,21-octaen-13-one
502.60
6.7
4
7
120.36
3
(13R)-8,17-dihydroxy-6,19-dimethoxy-14,14-dimethyl-3,15-dioxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(19),2(11),4,6,8,16(20),17-heptaen-10-one
396.40
3.4
2
7
98.36
2
(9S)-6-hydroxy-3,3-dimethyl-9-prop-1-en-2-yl-9,10-dihydro-8H-pyrano[2,3-c]xanthene-7,11-dione
352.40
4.1
1
5
76.74
1
(12S)-3,10,17-trihydroxy-7,7,21,21-tetramethyl-12-prop-1-en-2-yl-8,20,26-trioxahexacyclo[12.12.0.02,11.04,9.016,25.019,24]hexacosa-1(14),2(11),3,5,9,16(25),17,19(24),22-nonaen-15-one
500.50
6
3
7
109.36
1
4-[(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-4-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole
354.40
2.7
0
6
55.38
2
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aS,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
959.10
0.1
12
19
315.21
10
(5Z)-5-[(1S,4S,5R,6R,8S,9S,10R,13R)-9-[(E)-but-1-enyl]-4-methyl-2,14-dioxa-12-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-ylidene]-4-methoxy-3-methylfuran-2-one
385.50
2.2
1
6
66.02
3
[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-[7-hydroxy-5-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
773.70
12
18
317.28
11
(2S,3R,4S,5S)-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18R,20S)-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-16-[(2R,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxane-3,4,5-triol
736.90
3.2
6
12
176.76
5
(3S,4S,5R,6S)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,17R,20R)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxane-3,4-diol
736.90
3.6
6
12
176.76
6
(2R,3S,4S,5R,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,17R,20R)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxane-3,4-diol
767.00
3.6
7
13
196.99
7
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15R,16S,18R,20S)-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-16-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
1031.20
0.6
11
21
314.83
11
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-2-(hydroxymethyl)-6-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18R,20S)-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-16-[(2R,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
1061.20
0.6
12
22
335.06
12
(2R,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6S)-5-[(2R,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-2-(hydroxymethyl)-6-[[(1S,2R,5S,7R,10R,11S,14S,15S,16R,18S,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
929.10
2.1
10
18
276.14
10
(3S)-5-[(E)-3-[3-hydroxy-5-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoxy]-3-methyl-5-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoic acid
664.60
-2.9
10
18
291.82
15
(2S,3S,4R,5R,6R)-2-[[(1S,4aS,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
330.33
-1.9
5
8
128.84
4
(E)-1-[(3S)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
340.40
3
3
5
86.99
3
(6R)-6,17-dihydroxy-7,7-dimethyl-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,9,14(19),15,17-heptaen-21-one
352.30
3.1
2
6
93.04
0
(4aS,6aR,6aS,6bR,8aS,9R,10R,11S,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
650.80
3.7
7
10
177.14
5
[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-phenyl-N-sulfooxyethanimidothioate
409.40
-0.2
5
11
199.79
7
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