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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
[(5S,7S)-9-methoxy-3,5,7-trimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-4-yl] acetate
302.40
4.4
0
4
48.67
3
[(1S,12S,13R,14R,15Z)-15-ethylidene-7-methoxy-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-13-yl]methanol
338.40
2
1
3
37.63
2
(1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a-(hydroxymethyl)-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
472.70
6.8
3
4
77.76
3
Methyl 9-hydroxy-5a-(hydroxymethyl)-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
486.70
7.1
2
4
66.76
4
methyl (2R,4aS,6aR,6aS,6bR,8aR,12aR,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylate
468.70
7.5
0
3
43.37
2
Rabdosichuanin A
406.50
1.6
1
7
106.97
3
(1R,3R,6R,7S,10S,11R,14S)-3,10,14-trimethyl-6-propan-2-yl-15-oxatetracyclo[9.4.0.01,14.03,7]pentadecan-12-one
304.50
4.8
0
2
29.6
1
Anadensin
304.50
4.5
1
2
37.3
1
3'-Demethoxypiplartine
287.31
2.1
0
4
55.84
4
(E)-1-(3-(7-Methoxybenzo[d][1,3]dioxol-5-yl)acryloyl)-5,6-dihydropyridin-2(1H)-one
301.29
1.9
0
5
65.07
3
19,20-Didehydroervatamine
352.40
2.2
1
4
62.4
2
CID 14707496
405.50
4.8
1
5
60.28
4
(3R,3aS,9bR)-3,6,9-trimethyl-3a,4,5,9b-tetrahydro-3H-azuleno[4,5-b]furan-2-one
230.30
2
0
2
26.3
0
(3R,3aS,9aS,9bS)-3,6-dimethyl-9-methylidene-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2-one
230.30
2.4
0
2
26.3
0
[(1R,4S,9S,10R,13R,14S)-14-hydroxy-5,5,9-trimethyl-6-oxo-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate
362.50
3.6
1
4
63.6
3
1,7-Bis(3,4-dihydroxyphenyl)-5-(3,4,5-trihydroxyoxan-2-yl)oxyheptan-3-one
478.50
0.5
7
10
177.14
10
Oregonin
478.50
0.5
7
10
177.14
10
(4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-[2-(5-oxo-2H-furan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
332.40
4.4
1
4
63.6
4
(6,6,9a-trimethyl-3-oxo-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-7-yl) acetate
292.40
3.1
0
4
52.6
2
9b-Hydroxy-7,9a-dimethyl-6-methylidene-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one
248.32
1.9
1
3
46.53
0
Ethidium bromide
394.30
2
3
55.92
2
Xuelianlactone
248.32
1.8
1
3
46.53
0
3-(Naphthalen-1-yl)propan-1-ol
186.25
3.5
1
1
20.23
3
9-(1,3-Benzodioxol-5-yl)-1-piperidin-1-ylnona-2,4,8-trien-1-one
339.40
4.3
0
3
38.77
6
6-Methoxyflavone
252.26
3.9
0
3
39.44
2
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