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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
[(2R,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
594.50
2.3
7
13
216.58
8
[(2R,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
610.50
1.9
8
14
236.81
8
[(3S,3aR,4S,9aR,9bS)-3,6,9-trimethyl-3-[(Z)-2-methylbut-2-enoyl]oxy-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] 3,4-dimethoxybenzoate
524.60
3.7
0
9
114.43
8
(1R)-3-[(3S)-3-hydroxybutyl]-2,2,4-trimethylcyclohex-3-en-1-ol
212.33
1.8
2
2
40.46
3
methyl 3-[(3S,3aR,5aR,6R,7R,9aR,9bR)-7-(2-hydroxypropan-2-yl)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoate
506.80
6.1
2
5
75.99
7
2-[(3S,3aR,5aR,6R,7R,9aR,9bR)-6-(2,2-dimethoxyethyl)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid
536.80
6.8
2
6
85.22
8
(5S,8R,9S,10S,13S,14S,17R)-17-hydroxy-17-[(1R)-1-hydroxyethyl]-3,3-dimethoxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-16-one
394.50
3.6
2
5
75.99
3
(1S,2S,3'S,4S,4'S,5'R,6S,7S,8R,9S,12S,13R,14R,16R)-16-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-3',4',14-triol
933.00
-2.1
12
20
316.6
8
(1S,2S,3'S,4S,4'S,6S,7R,8R,9S,12S,13R,14R,16R)-14-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-7-(hydroxymethyl)-9,13-dimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-3',4',16-triol
917.00
-3.5
12
20
316.6
8
[(1S,2S,3'S,4S,4'S,6S,7R,8R,9S,12S,13R,14R,16R)-3',16-dihydroxy-14-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-9,13-dimethyl-5'-methylidene-4'-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-7-yl]methyl acetate
1105.20
-4
13
25
381.59
12
(1R,2S,10S,13S,14R,15S)-2,14-dihydroxy-15-methyl-6-oxido-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
295.37
-0.2
2
4
80.59
0
3-(4,7-Dihydroxy-3-methoxy-9,10-dihydrophenanthren-1-yl)-7-methoxy-9,10-dihydrophenanthrene-2,5-diol
482.50
5.9
4
6
99.38
3
8-(4,7-Dihydroxy-3-methoxy-9,10-dihydrophenanthren-1-yl)-6-methoxyphenanthrene-2,5-diol
480.50
6.5
4
6
99.38
3
8-[(7-Hydroxy-5-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-6-methoxy-9,10-dihydrophenanthrene-2,5-diol
482.50
6.2
3
6
88.38
4
8-[(5-Hydroxy-7-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-6-methoxy-9,10-dihydrophenanthrene-2,5-diol
482.50
6.2
3
6
88.38
4
8-[(7-Hydroxy-4-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-6-methoxy-9,10-dihydrophenanthrene-2,5-diol
482.50
6.2
3
6
88.38
4
(2S,3S)-3-(3-hydroxy-5-methoxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)-10-methoxy-2,3,4,5-tetrahydronaphtho[2,1-e][1]benzofuran-7-ol
512.50
5.7
3
7
97.61
5
(2R,4aS,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-10-[(2S,3R,4S,5S)-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-4a-(hydroxymethyl)-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
945.10
0.6
12
19
315.21
10
[(2R,3S,4S,5R,6S)-6-(2,4-dihydroxy-6-methylphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
454.40
0
8
12
206.6
6
(2S,3R,4S,5S,6R)-2-(2,4-dihydroxy-6-methylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
302.28
-0.6
6
8
139.84
3
(1aS,4S,4aS,6R,8R,8aS)-4-(furan-3-yl)-6-hydroxy-4a,8-dimethyl-1a,4,5,6,7,8-hexahydrooxireno[2,3-d]isochromen-2-one
278.30
1.4
1
5
72.2
1
(1aS,4S,4aS,6S,8R,8aS)-4-(furan-3-yl)-6-hydroxy-4a,8-dimethyl-1a,4,5,6,7,8-hexahydrooxireno[2,3-d]isochromen-2-one
278.30
1.4
1
5
72.2
1
(4aR,5R,8S,8aR)-5-hydroxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalene-2-carboxylic acid
252.35
2.7
2
3
57.53
2
(3R,3aS,8S,8aS)-8-hydroxy-8a-methyl-3-propan-2-yl-2,3,3a,6,7,8-hexahydro-1H-azulene-5-carboxylic acid
252.35
3.1
2
3
57.53
2
(1aR,4S,4aS,7S,7aS,7bS)-4-hydroxy-4-(hydroxymethyl)-1,1,7-trimethyl-1a,2,3,4a,5,7,7a,7b-octahydrocyclopropa[e]azulen-6-one
252.35
1.2
2
3
57.53
1
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