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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
1,6-Dihydroxy-3,5-dimethoxy-2-(3-methylbut-2-enyl)xanthen-9-one
356.40
4.7
2
6
89.13
4
Cowagarcinone D
462.50
7.2
3
6
100.13
5
(2Z)-2-[(4S)-4-[1-(1H-indol-2-yl)ethenyl]-1-methylpiperidin-3-ylidene]ethanol
282.40
2.6
2
2
39.26
3
(2S,3R)-2-hydroxy-3-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxybutanedioic acid
296.23
0.4
4
8
141.36
7
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
592.50
1.4
5
14
199.9
13
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoate
372.32
-0.7
6
10
166.14
6
[(2R,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5,6-bis[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy]oxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
960.90
1.5
8
23
323.81
22
3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
772.70
-2.7
13
21
348.58
10
(1E,4aR,4bS,7S,8aS,10aS)-7-ethenyl-1-(hydroxymethylidene)-4b,7,10a-trimethyl-4,4a,5,6,8,8a,9,10-octahydro-3H-phenanthren-2-one
302.50
6
1
2
37.3
1
Momordicoside L
634.80
3.1
6
9
156.91
8
Marsdenoside B
833.00
4.3
2
14
178.04
13
[(1S,3R,6R,7S,8S,9S,10S,11S,14S,16S)-6-acetyl-14-[(2R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-9-hydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-8-yl] 2-methylbutanoate
752.90
2.7
3
13
171.97
11
[(1S,3R,6R,7S,8S,9S,10S,11S,14S,16S)-6-acetyl-8-acetyloxy-14-[(2R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-9-yl] propanoate
766.90
2.3
2
14
178.04
12
[(1S,3R,6R,7S,8S,9S,10S,11S,14S,16S)-6-acetyl-8-acetyloxy-14-[(2R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-9-yl] 2-methylbutanoate
957.10
1.7
5
19
257.19
16
(-)-Cinchonidine
294.40
2.7
1
3
36.36
3
methyl 2-[(1R,3R,4R,5R,10S,14S,15R,18S,19R,20R,22S)-3,22-diacetyloxy-5-(furan-3-yl)-15,16-dihydroxy-4,12,18,20-tetramethyl-7-oxo-6,11,13,21-tetraoxaheptacyclo[10.8.1.115,18.01,10.04,9.010,14.016,20]docos-8-en-19-yl]acetate
658.60
-0.2
2
14
186.49
8
3-[3-[5-[(E)-2-carboxyethenyl]-2-hydroxy-3-methoxyphenyl]-4-hydroxy-5-methoxyphenyl]-2-[4-[(E)-2-carboxyethenyl]-2-methoxyphenoxy]-3-hydroxypropanoic acid
596.50
3.1
6
13
209.51
13
methyl (1S,14S,15E,18S)-18-(acetyloxymethyl)-15-ethylidene-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
424.50
2.1
1
6
88.7
5
N-[2-(1H-indol-3-yl)ethyl]tetracosanamide
510.80
13.5
2
1
44.89
25
(2E,8S,9Z)-heptadeca-2,9,16-trien-4,6-diyn-8-ol
242.36
4.9
1
1
20.23
8
Sesamolin
370.40
3
0
7
64.61
3
Phloretin-2'-O-(2''-O-xylosylglucoside)
568.50
-0.2
9
14
236.06
10
(2S,5R)-5-(1H-indol-3-yl)-4-oxo-2,3,5,6-tetrahydro-1H-azepino[4,5-b]indole-2-carboxylic acid
359.40
2.8
4
3
97.98
2
Malassezindole B
375.40
2
5
4
118.21
2
Malassezialactic acid
334.40
3.3
4
3
89.11
5
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