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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
(4R,6S,7R)-1-(furan-3-yl)-6,7-dihydroxy-4,8-dimethylnonan-1-one
268.35
2.7
2
4
70.67
8
(4aR,5S,8aR,9aR)-9a-methoxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydrobenzo[f][1]benzofuran-2,4-dione
278.34
2.8
0
4
52.6
1
[2-[(2R)-1-hydroxy-2-methoxypropan-2-yl]-5-methylphenyl] 3-methylbut-2-enoate
278.34
2.7
1
4
55.76
6
(2R)-6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one
438.50
4.6
4
7
120.36
4
(2S,3R,4S,5R,6R)-2-[(2S,3S,4S,5S,6R)-2-[[(2S,4aR,4bR,6aS,7R,8R,10aR,10bR,12aR)-7-hydroxy-8-(hydroxymethyl)-8-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,1,4a,10a,10b-pentamethyl-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
801.00
3.5
10
14
239.22
11
(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(2S,4aR,4bR,6aS,7R,8R,10aR,10bR,12aR)-7-hydroxy-8-(hydroxymethyl)-8-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,1,4a,10a,10b-pentamethyl-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
801.00
3.5
10
14
239.22
11
(1R,5R,6S,9S,10R,11R,15R)-9,10,11,15-tetrahydroxy-1,6,12-trimethyl-13-[(2S)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-4-oxatetracyclo[7.6.0.05,10.011,15]pentadec-12-en-3-one
544.60
-3.2
8
12
206.6
5
[(3aS,6S,6aS,9aS,9bR)-6a-hydroxy-9a-methyl-3-methylidene-2,9-dioxo-4,5,6,7,8,9b-hexahydro-3aH-azuleno[4,5-b]furan-6-yl] acetate
308.33
0.5
1
6
89.9
2
[(1S,3R,13R,14R,17S,18S,19R,20R,21S,22S,23S,24R,25S)-18-acetyloxy-21-(2-acetyloxy-2-methylpropanoyl)oxy-19-benzoyloxy-24,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-22-(3,4,5-trimethoxybenzoyl)oxy-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl pyridine-3-carboxylate
1127.10
4.2
2
24
313.56
20
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,4aS,4bR,6aS,7R,8R,9R,10aR,10bS,12R)-8,9,12-trihydroxy-7-(hydroxymethyl)-4a,4b,7,10a-tetramethyl-2-[(3S)-3-methyl-4-oxopentyl]-4,5,6,6a,8,9,10,10b,11,12-decahydro-3H-chrysene-2-carboxylate
682.80
1.7
8
12
214.44
9
(3R,3aR,4R,6S,9E,11R,11aS)-11-hydroxy-6-(hydroxymethyl)-3,10-dimethyl-4-[(2S)-2-methylbutoxy]-3a,4,5,6,7,8,11,11a-octahydro-3H-cyclodeca[b]furan-2-one
354.50
2.6
2
5
75.99
5
(1R,3S,7Z,10S)-1-hydroxy-3,7,17,17-tetramethyl-15-oxatricyclo[8.5.2.013,16]heptadeca-7,13(16)-diene-5,14-dione
332.40
2.6
1
4
63.6
0
(3R,4S)-4-[[3-[(1S,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
554.60
3.1
5
10
155.14
11
(3R,4R)-4-[[3-[(1S,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
554.60
3.1
5
10
155.14
11
(1R,3aS,4S,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-4,9-diol
442.70
8.3
2
2
40.46
1
14-[5-Hydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-3',4',16-triol
871.00
-2.2
10
18
276.14
6
(2Z)-2-[(1R,4aS,4bR,8R,8aR,10aS)-8-(hydroxymethyl)-1,4b,8-trimethyl-3,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-ylidene]ethanol
306.50
4.3
2
2
40.46
2
(3E,6E,8S,10S)-2,6,10-trimethyldodeca-3,6,11-triene-2,8,10-triol
254.36
1.9
3
3
60.69
7
(3E,6E,8S,10R)-2,6,10-trimethyldodeca-3,6,11-triene-2,8,10-triol
254.36
1.9
3
3
60.69
7
[(1S,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] hexadecanoate
665.10
17.8
0
2
26.3
17
methyl (2S,6R)-6-[(4S,5R,7S,10S,13R,14S,17R)-7-hydroxy-4,10,13-trimethyl-3,11-dioxo-2,4,5,6,7,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoate
484.70
5.2
1
5
80.67
7
(1R,3S,7S,10S)-10,11,11-trimethyl-12-oxatricyclo[5.3.1.13,10]dodecan-5-one
222.32
2.2
0
2
26.3
0
(2E)-2-[(1S,2S,4R,6S,7S)-7-hydroxy-1,5,5-trimethyl-9-oxo-10-oxatricyclo[4.4.0.02,4]decan-8-ylidene]propanoic acid
280.32
1.3
2
5
83.83
1
(3S,6S,12R,15R,18S,21R,24S,26S)-12-(2-hydroxyethyl)-15,18,21-tris[(4-hydroxyphenyl)methyl]-26-methyl-3-propan-2-yl-1,4,10,13,16,19,22-heptazatricyclo[22.3.0.06,10]heptacos-19-ene-2,5,11,14,17,23-hexone
882.00
3.5
8
11
250.3
9
(1S,4aS,6S,7S,7aR)-6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]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-carboxylic acid
536.50
0.9
5
12
181.44
9
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