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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
methyl (4R)-4-[(E,2S)-6-hydroxy-6-methylhept-4-en-2-yl]cyclohexene-1-carboxylate
266.38
3.2
1
3
46.53
6
(4R)-4-[(2S,4R)-4-hydroxy-6-methylheptan-2-yl]cyclohexene-1-carboxylic acid
254.36
3.6
2
3
57.53
6
(3S,4aS,10aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-3-ol
286.50
5.5
1
1
20.23
1
(1R,6S,11R)-11-(2-hydroxypropan-2-yl)-4-prop-2-enyl-7,9,10-trioxatricyclo[4.3.3.01,6]dodec-4-en-3-one
280.32
0.6
1
5
64.99
3
(2S,3R,4S,5S,6R)-2-[4-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
392.40
1.6
6
8
139.84
6
(2S,3R,4S,5S,6R)-2-[2-[2-(3,4-dihydroxyphenyl)ethyl]-4-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
408.40
0.7
7
9
160.07
6
[(1S,2S,3R,5R,6R,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-3-yl] acetate
280.40
3.2
0
3
35.53
2
[(1S,2R,5R,6R,8S,12S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-12-yl] acetate
280.40
3.4
0
3
35.53
2
[(1S,2S,3R,5R,6R,8S,12S)-12-hydroxy-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-3-yl] acetate
296.40
2.2
1
4
55.76
2
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
885.00
0.8
9
17
255.91
8
methyl (E,8S)-8-hydroxy-10-[(1S,5R)-5-methyl-4-oxocyclopent-2-en-1-yl]dec-9-enoate
294.40
2.7
1
4
63.6
10
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,11S,12aS,14aR,14bR)-11-carboxy-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
973.10
0.9
12
20
332.28
10
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,11S,12aS,14aR,14bR)-11-carboxy-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
973.10
0.9
12
20
332.28
10
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,11S,12aS,14aR,14bR)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-9-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
1119.20
-0.2
14
24
391.2
12
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,11S,12aS,14aR,14bR)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-9-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
1119.20
-0.2
14
24
391.2
12
methyl (4S)-4-[(2S)-6-methyl-4-oxohept-5-en-2-yl]-3-oxocyclohexene-1-carboxylate
278.34
2.4
0
4
60.44
6
methyl (4R)-4-[(2S)-6-methyl-4-oxohept-5-en-2-yl]-3-oxocyclohexene-1-carboxylate
278.34
2.4
0
4
60.44
6
methyl (4R)-4-[(2S)-6-hydroxy-6-methyl-4-oxoheptan-2-yl]cyclohexene-1-carboxylate
282.37
2.1
1
4
63.6
7
1-(7-Hydroxy-4-methoxyphenanthren-2-yl)-4-methoxyphenanthrene-2,7-diol
462.50
7.4
3
5
79.15
3
[(1S,2S,3R,5R,6R,8S,12S)-3-hydroxy-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-12-yl] acetate
296.40
2.2
1
4
55.76
2
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,9R,11S,12aS,14aR,14bR)-11-carboxy-9-hydroxy-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
957.10
2.1
11
19
312.05
9
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,6S,8S)-6-hydroxy-2-[(4-hydroxybenzoyl)oxymethyl]-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
648.60
-0.8
8
16
251.36
10
methyl (1R,9R,10S,13Z,14R)-13-ethylidene-17-methoxy-11-oxido-18-oxa-8-aza-11-azoniapentacyclo[7.6.3.110,14.01,9.02,7]nonadeca-2,4,6,11-tetraene-15-carboxylate
384.40
0.6
1
6
82.86
3
(1R,2S,7S,8R,9R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-8-ol
222.37
4.5
1
1
20.23
0
6-Hydroxykaempferol 3-Rutinoside-6-glucoside
772.70
-3.1
13
21
348.58
9
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