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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
8-[(2S,3R,4S,5S,6R)-6-[[(2S,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
580.50
-1.3
9
15
249.2
7
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid
532.40
0.4
5
13
202.42
9
2-(2,4-Dihydroxyphenyl)-6-hydroxy-1-benzofuran-3-carbaldehyde
270.24
2.4
3
5
90.9
2
2,3,4-Trihydroxybenzoic acid
170.12
1.1
4
5
97.99
1
(3E,8aS)-3-benzylidenehexahydropyrrolo[1,2-a]pyrazine-1,4-dione
242.27
1.5
1
2
49.41
1
(1S,4R,5S,6S,16R)-5,6-dihydroxy-5,6-dimethyl-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
353.40
0.1
2
7
96.3
1
2-Propylhept-2-enal
154.25
3.4
0
1
17.07
6
(1S,2R,9R,17R)-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
264.36
1
0
2
43.37
0
7-[[(1S,2R,4aR,6S,8aR)-2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
400.50
4.2
2
5
79.9
3
Bilobalide A
326.30
-0.3
2
8
119.36
1
Epi-conferdione
394.50
3.3
0
5
73.58
3
3-[(3S,5S,8R,9R,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
374.50
2.6
2
4
66.76
1
(1R,3aS,5aR,5bR,7aR,9R,11aR,11bS,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
442.70
8.3
2
2
40.46
2
(3S,4S,5S,9S,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
426.70
9
1
1
20.23
5
4-18-00-03417 (Beilstein Handbook Reference)
420.50
-0.5
4
7
124.29
2
ligupersin A
396.50
3.6
1
5
76.74
3
(1R,3aR,5aR,5bR,7aR,9S,11aR,11bS,13aR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
426.70
9.9
1
1
20.23
1
(1R,3aR,5aR,5bR,7aR,9S,11aR,11bS,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
426.70
9.9
1
1
20.23
1
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-16,18-diene-6,2'-piperidine]
395.60
6.6
1
2
21.26
0
Dihydrolycorine
289.33
0.7
2
5
62.16
0
(3aS,5R,5aS,6S,8R,8aS,9R,9aS)-6,8,9-trihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
282.33
0.7
3
5
86.99
0
(3R,3aR,4aS,8aR,9aR)-3,8a-dimethyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one
234.33
3.5
0
2
26.3
0
12beta-Hydroxycoroglaucigenin
406.50
-0.1
4
6
107.22
2
Ilicic acid
252.35
3.2
2
3
57.53
2
Isomultiflorenol
426.70
8.9
1
1
20.23
0
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