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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
(1R,2R,3S,10S,13S,15R)-3-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
263.37
1.6
1
3
40.54
0
Dendocarbin F
264.32
2.3
1
4
63.6
1
Dendocarbin D
268.35
2.8
2
4
66.76
0
gamma-Glutamylphenylalanine
294.30
-3
4
6
129.72
8
(2E,4E)-1-(Piperidin-1-yl)tetradeca-2,4-dien-1-one
291.50
6.3
0
1
20.31
10
Stemofuran F
298.30
4.3
2
4
62.83
2
cespitularin G
300.40
3.3
1
2
37.3
0
5-[5-hydroxy-7-[(E)-3-methylbut-1-enyl]-1-benzofuran-2-yl]benzene-1,3-diol
310.30
4.7
3
4
73.83
3
(1R,2R,4As,8aS)-1-[(3S)-5-hydroxy-3-methylpentyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
310.50
5.4
2
2
40.46
5
(2R,3R,4S,5S,6R)-2-[(2E,8E)-10-hydroxydeca-2,8-dien-4,6-diynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
324.32
-1.1
5
7
119.61
6
Vrtpfkplzcefkf-uhfffaoysa-
330.29
2.7
3
7
113.29
2
(2S,3S,5Z,8S)-8-[(1R)-1-bromopropyl]-3-chloro-2-[(E)-pent-2-en-4-ynyl]-3,4,7,8-tetrahydro-2H-oxocine
331.67
5
0
1
9.23
4
Talcarpine
338.40
2.2
0
3
34.47
1
5,6-Dimethoxy-2-(3,4-dimethoxyphenyl)-1h-quinolin-4-one
341.40
3.1
1
6
69.78
5
Stemocurtisine
347.40
1.9
0
6
57.23
1
3,5-Dihydroxy-1,7-bis(3,4-dihydroxyphenyl)heptane
348.40
2.6
6
6
121.38
8
(5R)-5-[(4-methoxy-1,3-benzodioxol-5-yl)methyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
355.40
3.4
0
6
49.39
3
(2S,3R,4R,5R,6S)-2-[2-[(2R,4aR)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-2-yloxy]-6-methyloxane-3,4,5-triol
368.50
2.3
3
5
79.15
3
Humantenirine
370.40
1.2
1
5
60.03
2
5,6-Dimethoxy-2-(2',5',6'-trimethoxyphenyl)-1h-quinolin-4-one
371.40
3
1
7
79.01
6
4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside
373.31
-1.6
5
10
158.38
4
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-4-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]butan-2-yl]oxyoxane-3,4,5-triol
374.50
0.2
5
7
119.61
6
(2S,10S)-6-methoxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaen-10-ol
420.50
4.7
1
5
57.15
3
11alpha-Hydroxyandrosta-1,4-diene-3,17-dione
300.40
2.1
1
3
54.37
0
1-Oxo-3beta,23-dihydroxyolean-12-en-28-oic acid
486.70
5.5
3
5
94.83
2
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