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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
(6aR,11aR)-4-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol
340.40
3.9
3
5
79.15
2
Ellagic acid arabinoside
434.30
-0.6
6
12
200.26
2
Ellagic acid acetyl-xyloside
476.30
-0.1
5
13
206.33
4
6-(2-Hydroxy-4,6-dimethoxybenzoyl)-2-(4-hydroxy-3-methoxyphenyl)-7-(4-methoxyphenyl)furo[3,2-g]chromen-4-one
594.60
5.7
2
10
137.8
8
1-Arachidonyl-2-oleoyl-3-linoleoyl-glycerol
913.50
23.7
0
6
78.9
55
1,3-Dioleoyl-2-arachidoyl glycerol
915.50
24.4
0
6
78.9
56
1,2-Diferuloylgentiobiose
694.60
-0.2
8
17
260.59
14
1-Sinapoyl-2,2'-diferuloylgentiobiose
900.80
2.1
8
21
305.35
20
1,2,2'-Triferuloylgentiobiose
870.80
2.1
8
20
296.12
19
[(1S,2R,3S,4S,5R,6S,7R,12R,13R,15R,16R)-15-[(R)-acetyloxy(furan-3-yl)methyl]-3,13-dihydroxy-6,16-bis(2-methoxy-2-oxoethyl)-5,7,10,15-tetramethyl-2-propanoyloxy-9,11,17-trioxapentacyclo[8.6.1.15,8.01,12.07,12]octadecan-4-yl] 2,3-dimethyloxirane-2-carboxylate
806.80
1.7
2
17
225.32
16
[(1S,2R,3S,4S,5R,6S,7R,12R,13R,15S,16S)-2,3-diacetyloxy-15-[(R)-acetyloxy(furan-3-yl)methyl]-13,16-dihydroxy-6,16-bis(2-methoxy-2-oxoethyl)-5,7,10,15-tetramethyl-9,11,17-trioxapentacyclo[8.6.1.15,8.01,12.07,12]octadecan-4-yl] 2,3-dimethyloxirane-2-carboxylate
850.90
1.3
2
19
251.62
17
(2S)-4-hydroxy-7-(hydroxymethyl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one
274.27
2.2
2
5
79.9
2
1-[(3S,8R,9S,10S,11S,12S,13S,14S,17R)-3,11,12,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
380.50
-0.7
5
6
118.22
2
(3S,8R,9S,10S,11S,12S,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10-(hydroxymethyl)-13-methyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,11,12,14-tetrol
382.50
-0.4
6
6
121.38
2
1-[(3S,8R,9S,10R,11S,12S,13S,14S,17R)-3,11,12,14-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
364.50
0.5
4
5
97.99
1
10-butanoyl-5-hydroxy-4-[(1S)-1-hydroxypropyl]-8,8-dimethylpyrano[2,3-h]chromen-2-one
372.40
2.3
2
6
96.97
5
(2S)-2-methyl-4-pentenal
98.14
1.3
0
1
17.07
3
Erythrodiol
442.70
7.6
2
2
40.46
1
(2S)-1-(6,7-dimethoxyfuro[2,3-b]quinolin-4-yl)oxy-3-methylbutane-2,3-diol
347.40
1.9
2
7
94.18
6
(2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
1397.50
-0.3
15
30
465.42
20
(2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
1397.50
-0.3
15
30
465.42
20
(R)-2-Amino-4-(aminooxy)butanoic acid
134.13
-4.6
3
5
98.57
4
Levodione
154.21
0.9
0
2
34.14
0
2-[(2S,4aS,5S,6S,8aS)-5-(carboxymethyl)-2-ethenyl-3-hydroxy-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydrochromen-6-yl]-2-methylpropanoic acid
368.50
2.3
3
6
104.06
5
2,7-dihydroxy-9-methyl-3,6-di(undecyl)-9H-xanthene-1,4,5,8-tetrone
596.80
11.5
2
7
117.97
20
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