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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
griseusin B
446.40
0.6
3
10
156.66
4
methyl (1S,4aR,7S,7aS)-7-acetyloxy-4a-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
448.40
-1.6
5
12
181.44
7
3-[2-(1,1-Dimethyl-allyl)-6,7-bis-(3-methyl-but-2-enyl)-1H-indol-3-ylmethylene]-6-methyl-piperazine-2,5-dione
459.60
7.2
3
2
73.99
7
Casearinone B
476.60
4
0
8
105.2
9
Rocagloic Acid
478.50
2.9
3
8
114.68
6
(Z)-N-[(4-hydroxyphenyl)methyl]ethoxycarbothioamide 4'-(tri-acetylrhamnoside)
483.50
2.5
1
10
150.71
12
Sandorinic acid A
486.70
4.3
3
5
94.83
1
Sandorinic acid B
486.70
4.4
3
5
94.83
1
Clovanemagnolol
486.70
8.6
2
3
49.69
7
(2E)-2-[(2R,3S,4S)-4-hydroxy-3-(hydroxymethyl)-2-(3-hydroxypropyl)-4-methyl-3-[(3E,5E)-4-methyl-6-[(1R,3S)-2,2,3-trimethyl-6-methylidenecyclohexyl]hexa-3,5-dienyl]cyclohexylidene]propanal
486.70
5.8
3
4
77.76
10
Caesalmin D
492.60
2.1
2
9
132.5
6
nymphaeol C
492.60
7.7
4
6
107.22
8
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
498.40
0.3
6
13
193.83
9
16alpha-Hydroxy-NA-benzoylbuxadine
504.70
6.1
2
3
52.57
4
(1R,15S,16R,17S)-16-ethenyl-3-hydroxy-4-methoxy-15-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2(7),3,5,12-tetraen-11-one
505.50
-0.1
5
10
158.38
5
[(1S,2R,7S,9R,11R,12R,13S,16R)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadeca-4,14-dien-13-yl] acetate
510.60
2.9
1
7
102.43
4
3,4-Dicaffeoyl quinic acid
516.40
1.5
7
12
211.28
9
(1S,12S,18S,19R,20S)-19-ethenyl-18-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaene-12-carboxylic acid
528.50
-2
6
10
164.94
5
4-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]phenyl I(2)-D-glucopyranoside 2-(3,4,5-trihydroxybenzoate)
542.50
2.5
8
12
206.6
8
(3R,4As,5R,6S)-5-ethenyl-3-[(4S)-4-hydroxy-6-(4-hydroxyphenyl)-2-oxohexyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one
564.60
0.1
6
12
192.44
11
methyl (1S,4aR,7aR)-4a-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate
566.50
-4.5
9
16
254.52
9
(2S)-5-hydroxy-8-[2-hydroxy-5-[(2S)-5-hydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]phenyl]-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
570.50
5.1
4
10
151.98
5
Rhaponticin 2''-O-gallate
572.50
2.5
8
13
215.83
9
(1S,6R,13S)-16,17-dimethoxy-6-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
574.60
1.2
4
12
162.6
6
20,21,25-Trimethoxy-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6,9(35),10,12(34),14,18,20,22(33),24,26,31-tetradecaen-6-ol
576.60
5.2
1
8
91.1
3
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