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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
(2R,3R)-2-[3,4-dihydroxy-5-(2-hydroxyethylsulfanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol
366.40
0.2
6
8
155.91
4
(2R,3R)-2-[3,4-dihydroxy-2,5-bis(2-hydroxyethylsulfanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol
442.50
0
7
10
201.44
7
(3S,3aS,6R,6aS,9aS,9bR)-6,6a-dihydroxy-3,6,9a-trimethyl-3a,4,5,9b-tetrahydro-3H-azuleno[8,7-b]furan-2,9-dione
280.32
0.2
2
5
83.83
0
(3S,3aS,6R,6aS,9aS,9bR)-6,6a-dihydroxy-3,6,9a-trimethyl-3a,4,5,7,8,9b-hexahydro-3H-azuleno[8,7-b]furan-2,9-dione
282.33
0.2
2
5
83.83
0
(3S,3aS,6R,6aS,9S,9aS,9bR)-6,6a,9-trihydroxy-3,6,9a-trimethyl-3,3a,4,5,9,9b-hexahydroazuleno[4,5-b]furan-2-one
282.33
0.2
3
5
86.99
0
(3R,6S,6aR,9S,9aS)-6,6a,9-Trihydroxy-3,6,9a-trimethylperhydroazuleno[1,2-b]furan-2-one
284.35
0.5
3
5
86.99
0
Bicyclo[2.2.1]heptan-2-one, 5,5-dimethyl-3-methylene-(9CI)
150.22
2.1
0
1
17.07
0
Withacoagulin
452.60
3.5
2
5
83.83
3
methyl (1R,9R,10R,13R,20S)-9-hydroxy-6-methoxy-8,17-diazahexacyclo[11.6.1.110,13.01,9.02,7.017,20]henicosa-2(7),3,5,14-tetraene-10-carboxylate
382.50
2.6
2
6
71.03
3
methyl (1R,9R,10R,13S,14S,20S)-9,14-dihydroxy-6-methoxy-8,17-diazahexacyclo[11.6.1.110,13.01,9.02,7.017,20]henicosa-2(7),3,5-triene-10-carboxylate
400.50
1.7
3
7
91.26
3
methyl (1R,9R,10R,13S,14R,15R,20S)-9,14,15-trihydroxy-6-methoxy-8,17-diazahexacyclo[11.6.1.110,13.01,9.02,7.017,20]henicosa-2(7),3,5-triene-10-carboxylate
416.50
0.7
4
8
111.49
3
methyl (1R,10R,13R,20S)-8,17-diazahexacyclo[11.6.1.110,13.01,9.02,7.017,20]henicosa-2,4,6,8,14-pentaene-10-carboxylate
334.40
2.4
0
4
41.9
2
methyl (1R,10R,13R,20S)-6-methoxy-8,17-diazahexacyclo[11.6.1.110,13.01,9.02,7.017,20]henicosa-2(7),3,5,8,14-pentaene-10-carboxylate
364.40
2.4
0
5
51.13
3
methyl (1S,9S,10R,13R,20S)-5-methoxy-8,17-diazahexacyclo[11.6.1.110,13.01,9.02,7.017,20]henicosa-2(7),3,5,14-tetraene-10-carboxylate
366.50
2.8
1
5
50.8
3
Sugikurojin A
300.40
5.1
2
2
40.46
2
(4bS,8aS,9R,10S)-9-[[(4bR,8aR)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-3-yl]oxy]-10-methoxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
598.90
12.3
1
3
38.69
5
Nigeglanine
202.25
1.6
0
3
26.93
0
Stemoninoamide
305.40
1.8
0
4
55.84
1
(2E)-1-(pyrrolidin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
291.34
2.2
0
4
48
5
(1R,2Z,6R,10S,12S,14R,15S)-3,7,7,10,14-pentamethyl-16-oxatetracyclo[10.4.0.01,15.06,10]hexadec-2-ene-4,9,11-trione
330.40
2.2
0
4
63.74
0
Monascin
358.40
3.2
0
5
69.67
6
3-Hydroxyphenylacetic acid
152.15
0.9
2
3
57.53
2
4-(2-amino-3-chlorophenyl)-1H-pyrrole-2-carboxylic acid
236.65
2.1
3
3
79.11
2
1-Caffeoyl-5-feruloylquinic acid
530.50
1.9
6
12
200.28
10
3-hydroxyphloretin 2'-O-xylosylglucoside
584.50
-1.6
10
15
256.29
9
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