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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
Oleodaphnone
230.30
1.9
0
2
34.14
1
Gymnomitra-3(15),4-diene
202.33
4.9
0
0
0
0
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-6-carboxy-2-[2-[4-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
798.60
-1.8
12
23
379.56
10
Apigenin 4'-O-beta-D-Glucuronide
446.40
0.2
6
11
187.12
4
(2S,3S,4S,5R,6S)-6-[4-[7-[(2S,3R,4S,5S,6S)-6-carboxy-3-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
974.80
0.5
12
26
415.09
15
(2S,3S,4S,5R,6R)-6-[(2S,3S,4S,5R,6R)-2-carboxy-6-[(2S,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3-hydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
974.80
0.7
12
26
415.09
15
(2S,3S,4S,5R,6R)-6-[(2S,3S,4S,5R,6R)-2-carboxy-6-[(2S,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3-hydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
944.70
0.7
12
25
405.86
14
(2S,3S,4S,5R,6S)-6-[4-[7-[(2S,3R,4S,5S,6S)-6-carboxy-3-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-2-yl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
990.80
0.1
13
27
435.32
15
5,7-dihydroxy-2-{1,2,3,9-tetrahydroxy-8-oxobenzo[7]annulen-6-yl}-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
552.40
3
9
13
234.67
4
methyl (3R,3aR,5S,9R,9aS)-5-[(1R,3aS,4R,7aR)-7a-methoxycarbonyl-1,3a,4-trimethyl-7-oxo-1,2,3,4-tetrahydroinden-5-yl]-3,9,9a-trimethyl-4-oxo-1,2,3,5,6,7,8,9-octahydrocyclopenta[b]naphthalene-3a-carboxylate
524.70
6.3
0
6
86.74
5
(1E,2R,3R)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-1-[(4-hydroxy-3-methoxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol
514.50
4.8
6
8
139.84
5
dimethyl (1S,9R,16R,18S,21S)-18-hydroxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-2,18-dicarboxylate
412.50
2
1
6
79.31
3
(1S,4aS,5S,8aR)-1,4a-dimethyl-6-oxo-5-[(2R)-5-oxo-2-propan-2-yloxolan-2-yl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carbaldehyde
334.40
3.2
0
4
60.44
3
(1S,4aS,5R,8aR)-5-[(E)-3-formyl-4-methylpent-2-enyl]-1,4a-dimethyl-6-oxo-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carbaldehyde
318.40
3.4
0
3
51.21
5
(1S,4aS,9S,10aR)-9-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbaldehyde
300.40
4.2
1
2
37.3
2
methyl (1R,9R,10S,12R,13Z,18S)-13-ethylidene-4-methoxy-8-methyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2(7),3,5-triene-18-carboxylate
368.50
2.5
0
5
42.01
3
sanggenon O
708.70
6.3
8
12
214.44
6
(4aS,5R,8aR,9aR)-3,4a,5-trimethyl-5,8a,9,9a-tetrahydro-4H-benzo[f][1]benzofuran-2,6-dione
246.30
1.9
0
3
43.37
0
Lathyrol
334.40
2.2
3
4
77.76
0
(1R,2E,6S,10R)-10-(2-hydroxypropan-2-yl)-3-methyl-7-methylidenecyclodec-2-ene-1,6-diol
254.36
1.5
3
3
60.69
1
(1R,2E,6R,10R)-10-(2-hydroxypropan-2-yl)-3-methyl-7-methylidenecyclodec-2-ene-1,6-diol
254.36
1.5
3
3
60.69
1
2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
494.40
0.3
8
13
219.74
5
Betulinic acid palmitate
695.10
16.1
1
4
63.6
18
Thalmineline
742.90
6.3
1
12
109.78
12
methyl (1S,14R,15S,16S,20S)-14-(hydroxymethyl)-16-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
546.60
-0.4
6
11
174.17
6
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