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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
[(1S,2S,5R,6S,7R,9R,12S)-12-acetyloxy-5-hydroxy-6-(hydroxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
432.50
3
2
7
102.29
6
[(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] (3R)-3-hydroxybutanoate
373.40
2.1
1
6
68.23
5
(12S,13S)-15,16-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-13-ol
355.40
2.1
1
6
60.39
2
(1R,2R,7S,8R)-2,6,6-trimethyl-9-methylidenetricyclo[5.4.0.02,8]undecane
204.35
4.9
0
0
0
0
(2R)-2-(2,5-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
288.25
2
4
6
107.22
1
(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(E,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
428.70
7.4
2
2
40.46
5
(Z,2R,3S,4S)-tetracos-5-ene-1,2,3,4-tetrol
400.60
7.6
4
4
80.92
21
(Z,2R,3S,4R)-tricos-5-ene-1,2,3,4-tetrol
386.60
7.1
4
4
80.92
20
(1S,2S)-1,8,10-trihydroxy-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)-1,2-dihydrofuro[3,2-a]xanthen-11-one
412.40
4.2
4
7
120.36
3
(2R,3S,4R,5S,6R)-2-(1,3-dihydroxypropan-2-yloxy)-6-methyloxane-3,4,5-triol
238.23
-2.9
5
7
119.61
4
1-(2,4-dihydroxyphenyl)-3-[(2S)-8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-5-yl]propan-1-one
408.50
5.9
3
5
86.99
7
(1S,4aR,7S,7aS)-7-hydroxy-7-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid
566.50
-0.9
7
14
221.9
10
2-[(1R,2R,5R,8R,9R,10S,13R,14S,15R,18S)-18-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,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]oxycarbonyl-1,2,6,6,9-pentamethyl-15-prop-1-en-2-yl-7-oxapentacyclo[11.7.0.02,10.05,9.014,18]icosan-8-yl]acetic acid
957.10
1.2
10
19
301.05
12
methyl (1S,12S,18S,19S)-12-ethyl-18-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
368.50
3
1
5
50.8
4
(3R,3aR,4R,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
278.30
-0.6
2
5
83.83
1
methyl (Z)-3-[(1R,2R,4S,7S,8S,9S,10R,11R,12S,13R,17S)-10-acetyloxy-7-(furan-3-yl)-9,13,17-trihydroxy-1,8,12,15,15-pentamethyl-5,14-dioxo-3,6,16-trioxapentacyclo[9.6.0.02,4.02,8.013,17]heptadecan-12-yl]prop-2-enoate
590.60
0
3
13
191.56
6
5-ethyl-2-[(1S,2S)-2-formyl-1,3,3-trimethylcyclohexyl]-4-hydroxybenzaldehyde
302.40
4.5
1
3
54.37
4
(3R,4S)-3-[(1S)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-hydroxyethyl]-4-hydroxyoxolan-2-one
368.50
1.9
4
6
107.22
4
(1S,13R)-1-hydroxy-5,7,11,14,18-pentaoxahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15(23),16,19,21-heptaen-24-one
352.30
2.3
1
7
87.36
0
(2S,3R,4S,5S)-2-[[(1S,2R,3S,4R,7R,9S,12S,13R,15R,16R,17R,18R,19R,21R,22S)-2,16-dihydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,13.07,12.013,15]tetracosan-9-yl]oxy]oxane-3,4,5-triol
636.80
2.2
6
10
158.3
3
(1S,4aR,5S,8aS)-5-[(3S)-3-hydroxy-3-methylpent-4-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
320.50
4.2
2
3
57.53
5
CID 154495961
410.50
1.9
2
7
102.29
2
(1S,4aS,5S,8aR)-5-[2-[(2R)-2-methoxy-5-oxo-2H-furan-4-yl]ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
362.50
4.1
1
5
72.83
5
[(1R,9R,10S,12R,13S,14R,16S,17S,18R)-13-ethyl-14-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-yl] acetate
368.50
2.4
1
5
53.01
3
[(2S,3R,4S,5S,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 4-hydroxybenzoate
568.50
1.7
8
13
227.58
6
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