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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
7-methoxy-4-(5-phenylpentyl)-1H-indole-2,3-dione
323.40
4.5
1
3
55.4
7
[(1aR,3aR,4R,5S,7S,7aR,7bS)-4-[(1S)-1-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-5-hydroxy-7a-(hydroxymethyl)-1a,4,7b-trimethyl-2,3,3a,5,6,7-hexahydronaphtho[1,2-b]oxiren-7-yl] benzoate
528.60
2.1
2
9
131.89
9
(2S)-5-[(2S)-6-hydroxy-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-5-yl]-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
819.20
17.6
2
4
58.92
19
bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6Z,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
977.00
-2.5
14
24
391.2
20
(E,6R)-2-methyl-6-[(10R,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-7,11,12,15,16,17-hexahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoic acid
450.70
7
1
3
54.37
5
(E,6R)-2-methyl-6-[(1S,2R,11R,14R,15S)-2,6,6,11,15-pentamethyl-5-oxo-14-tricyclo[8.7.0.02,7]heptadeca-3,7,9-trienyl]hept-2-enoic acid
452.70
7.9
1
3
54.37
5
(E,6R)-2-methyl-4-oxo-6-[(1S,3S,8R,12R,16R)-7,7,12,16-tetramethyl-6,18-dioxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadeca-4,10,14-trienyl]hept-2-enoic acid
476.60
3.4
1
5
88.51
5
[(1S,2R,3R,4S,5R,6S,8R,12S,13S,16S,19S,20R,21S)-14-ethyl-4,6,19,21-tetramethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-16-yl]methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate
694.80
1.9
0
11
122.3
10
(1S,2R,3R,4S,5S,6S,8R,12S,13S,16R,19S,20R,21S)-14-ethyl-6,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-4,21-diol
435.60
0.5
2
7
80.62
3
[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-9,16-dihydroxy-4,6,8,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-aminobenzoate
586.70
1.5
3
10
132.94
9
(3S,3aS,5R,6aR,8S,9aR,9bS)-5,8-dihydroxy-3-methyl-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
264.32
0.3
2
4
66.76
0
3-[(1R,3R,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
698.80
-0.5
8
14
225.06
6
5-Benzofurancarboxaldehyde, 2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-methyl-, trans-
314.30
2.8
1
5
64.99
4
(1R,5R,6S,7S)-7-(1,3-benzodioxol-5-yl)-3-methoxy-6-methyl-5-prop-2-enylbicyclo[3.2.1]oct-3-ene-2,8-dione
340.40
3.5
0
5
61.83
4
1-[(2R)-6-methyl-2,3,4,5-tetrahydropyridin-2-yl]propan-2-one
153.22
0.1
0
2
29.43
2
CID 101663293
522.80
11.8
0
3
38.83
25
3-[(E)-5-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enoxy]-3-oxopropanoic acid
376.50
6.1
1
4
63.6
8
bis[(E)-5-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl] propanedioate
685.00
11.3
2
6
93.06
14
[(3R,3aR,5aS,7aR,9S,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-yl] formate
454.70
9.3
0
2
26.3
3
2-[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]ethyl (1S,4aS,6S,7R,7aS)-6-(2,3-dihydroxybenzoyl)oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
884.80
-0.2
10
22
336.58
17
methyl (2S,3R,4S)-4-[[(1R)-2-acetyl-6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
579.60
0
5
12
184.68
9
(3S,5R,9R,10S,11S,13S,14S,16R,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11,16-triol
458.70
6.5
3
3
60.69
4
3-[(1R,2S,3S,6E)-3-hydroxy-2-[(3E,7E)-5-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,3-dimethyl-6-(1-oxopropan-2-ylidene)cyclohexyl]propyl (Z)-tetradec-9-enoate
683.10
11.7
2
5
83.83
26
3-[(1R,2S,3S,6E)-3-hydroxy-2-[(3E,7E)-5-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,3-dimethyl-6-(1-oxopropan-2-ylidene)cyclohexyl]propyl (Z)-hexadec-11-enoate
711.10
12.8
2
5
83.83
28
3-[(1R,2S,3S,6E)-3-hydroxy-2-[(3E,7E)-5-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,3-dimethyl-6-(1-oxopropan-2-ylidene)cyclohexyl]propyl octadecanoate
741.20
14.8
2
5
83.83
31
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