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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
(1S,12R,13R,20S)-13,20-dimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,17-tetraen-16-one
346.30
1
0
7
72.45
2
2-[(2R,4aS,5R,6S,8aS)-5-(carboxymethyl)-2-ethenyl-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydrochromen-6-yl]-2-methylpropanoic acid
352.50
3.3
2
5
83.83
5
[(4S,4aR,5R,6S,8aS,9S,9aS)-6,9-dihydroxy-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
364.40
1.8
2
6
93.06
3
3,4-O-dimethylcedrusin
374.40
2.4
2
6
77.38
8
dimethyl (4aR,5R,6R,8aR)-5-[2-(furan-3-yl)ethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1,6-dicarboxylate
374.50
4.8
0
5
65.74
7
6-epi-3-Anhydroophiobolin B
384.60
4.6
1
3
54.37
5
Benzoyltropein
245.32
3
0
3
29.54
3
Cyclohexene, 6-(2-butenylidene)-1,5,5-trimethyl-
176.30
4
0
0
0
1
Ethyl 2-methylbut-2-enoate
128.17
1.7
0
2
26.3
3
(2S,3R,4S,5S,6R)-2-[[(1S,4S,4aS,8aS)-4-hydroxy-1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
400.50
1
5
7
119.61
3
Bonducellpin D
404.50
1.9
2
7
106.2
2
3,7-Dimethyl-3,6-octadienal
152.23
2.9
0
1
17.07
4
(3R)-6-[(1R)-1-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-3-methyl-4,5-dihydro-2H-pyridin-3-ol
413.60
4.7
2
3
52.82
2
(2S)-7-hydroxy-2-(2-hydroxyphenyl)-5-methoxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one
422.50
5.9
2
5
75.99
7
Smyrindioloside
424.40
-0.8
5
10
159.05
4
(25R)-Spirost-4-ene-3,12-dione
426.60
4
0
4
52.6
0
(3S,4aR,6aR,6bS,8aR,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
426.70
9
1
1
20.23
0
(1Z,3S,3aR,5R,7S,7aS)-1-Ethylideneoctahydro-4-methylene-7-(1-methylethyl)-3-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-2-oxo-1H-inden-5-yl (2E)-3-methyl-2-pentenoate
428.60
5.7
0
5
69.67
8
[(5S,8R,9S,10R,13R,14R,17R)-4,4,10,13-tetramethyl-17-[(Z)-6-methylhept-2-en-2-yl]-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-14-yl]methanol
428.70
10.2
1
1
20.23
5
Ergost-5-en-7-one, 3,22-dihydroxy-, (3I(2),22R,24R)-
430.70
6.4
2
3
57.53
5
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 4-hydroxybenzoate
432.40
-2.5
7
12
195.6
7
Muzanzagenin
442.60
2.9
2
5
75.99
0
CID 10837035
444.70
8.8
1
2
29.46
7
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-(4-hydroxybenzoyl)oxy-6-(hydroxymethyl)oxan-2-yl] 4-hydroxy-3-methoxybenzoate
450.40
1.1
5
11
172.21
8
Isocyclokirilodiol
458.70
7.3
2
3
49.69
2
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