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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,4S)-1-methyl-3-oxo-4-propan-2-ylcyclohexyl] acetate
212.28
1.9
0
3
43.37
3
5-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
608.50
-1.2
8
15
238.2
8
2'-Hydroxygenistein 4',7-O-diglucoside
610.50
-1.3
10
16
269.43
7
(1R,4R,6R,7R,10S,14S,16S,18R,19S)-10,14,18-trihydroxy-6-methyl-7-(5-oxo-2H-furan-3-yl)-16-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-oxapentacyclo[9.7.1.01,14.04,19.06,10]nonadecan-2-one
580.60
-1.8
6
12
192.44
3
(2S,3R,4S,5R)-2-[[(2S,3S,4aR,4bS,7R,8aS)-7-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-ethenyl-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-3-yl]oxy]oxane-3,4,5-triol
568.70
1.7
6
10
158.3
6
[(3R,4R,5R,6S)-6-[[(2S,3S,4aR,4bS,7R,8aS)-7-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-ethenyl-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-3-yl]oxy]-4,5-dihydroxyoxan-3-yl] acetate
610.70
2.2
5
11
164.37
8
(2R,3R,4R,5S,6R)-2-[[(1S,4S,5R,9S,10R,13R,14R)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
498.60
1.9
5
8
128.84
6
(2R,3R,4R,5S,6R)-2-[[(1S,4S,5S,9S,10R,13R,14R)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
498.60
1.9
5
8
128.84
6
2-[2-[(6S,6aR,10aR)-7,7,9-trimethyl-11-[2-(methylamino)ethyl]-6,6a,8,10a-tetrahydroisoindolo[2,1-a]indol-6-yl]-1H-indol-3-yl]-N-methylethanamine
480.70
5.5
3
2
44.78
7
[(1S,2R,3R,4R,5R,6S,8S,9R,10R,13R,16S,17R,18S)-11-ethyl-16-hydroxy-4,6-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-14-en-18-yl] acetate
431.60
2.1
1
6
68.23
5
[(1S,2R,3R,4S,5R,6S,8R,12S,13S,16R,19S,20R,21S)-14-ethyl-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docos-17-en-21-yl] acetate
489.60
1.5
0
8
75.69
6
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-N-hydroxybut-3-enimidothioate
279.31
-0.5
5
8
148.04
5
(1R,3aR,5aR,5bR,7aR,9S,11aS,11bR,12R,13aR,13bS)-1-(2-hydroxypropan-2-yl)-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-9,12-diol
460.70
7
3
3
60.69
1
(2E,6E)-1-Hydroxy-2,6,10-farnesatrien-9-one
236.35
3.6
1
2
37.3
7
(2E,6E,9xi)-Farnesol
238.37
3.6
2
2
40.46
7
N-[(7S)-2-hydroxy-1,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide
371.40
0.5
2
6
94.09
4
(2R,3R,4S,4aR)-2,3,4-trihydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one
291.26
-1.4
4
6
108.25
0
(E,6R)-2-methyl-6-[(5R,9S,10R,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-5,6,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoic acid
452.70
7.8
1
3
54.37
5
(1S,16R,17R,18S,19R)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,14-tetraene-16,17,18-triol
303.31
-1.1
3
6
82.39
0
Capauridin
371.40
2.9
1
6
60.39
4
Ruvoside
550.70
0.9
4
9
134.91
5
(1S,2R,3R,5S,6R,14R,15S,18R,21S,22R)-5,18-dihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone
510.50
1.1
2
9
136.43
0
(1R,2S,5R,8S,9R,17R,18S,21R,24R,26S,27S)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,14-diene-4,10,22,29-tetrone
510.50
0.8
1
9
125.43
0
(1S)-1-[(2R,4S,5R)-5-hydroxy-4-[(3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxolan-2-yl]-2-methylpropane-1,2-diol
490.70
5
4
5
90.15
3
(1R,9S)-4,12,13-trimethoxy-17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-5-ol
341.40
2.9
1
5
51.16
3
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