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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
(19R,22R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl octadec-9-enoate
749.00
12.3
3
10
158.63
41
(5S,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid
336.50
4.1
3
4
77.76
14
(2e,6z)-8-beta-d-Glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
346.37
0
5
8
136.68
8
2(3H)-Furanone, dihydro-3-((S)-hydroxyphenylmethyl)-4-((1-methyl-1H-imidazol-4-yl)methyl)-, (3S,4R)-
286.33
1.6
1
4
64.35
4
1-Azulenecarboxaldehyde, 7-ethyl-4-methyl-
198.26
3.5
0
1
17.07
2
Farformolide B
310.40
1.4
1
5
64.99
2
Chamaejasmine
542.50
4.6
6
10
173.98
3
5-(6-Methoxy-1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
315.40
3.1
0
4
48
4
Stemonine
389.50
3.4
0
6
65.07
2
Naphtho(1,2-b)furan-2(3H)-one, 4-(acetyloxy)decahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-, (3aR,4R,5aR,6R,9aS,9bR)-
306.40
1.6
1
5
72.83
2
Methyl 1-methylpiperidine-3-carboxylate
157.21
0.6
0
3
29.54
2
4H-Furo(2,3-h)-1-benzopyran-4-one, 9-(1,2-bis(acetyloxy)-2-methylpropyl)-8,9-dihydro-5-methoxy-2-phenyl-, (R-(R*,S*))-
466.50
3.4
0
8
101.27
8
Obtusin
344.30
3
2
7
102.29
3
Chrysoobtusin
358.30
2.8
1
7
91.29
4
4,11,13,15-Tetrahydroridentin B
268.35
1.8
2
4
66.76
0
[(5S,6R,8R,9E)-8-methoxy-3,6,10-trimethyl-4-oxo-6,7,8,11-tetrahydro-5H-cyclodeca[b]furan-5-yl] acetate
320.40
2.7
0
5
65.74
3
2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
354.40
4.2
4
6
111.13
3
3-[(3S,3aS,5aR,6S,9aS,9bR)-3a,5a,9b-trimethyl-3-[(2R)-6-methylhept-5-en-2-yl]-7-propan-2-ylidene-2,3,4,5,6,8,9,9a-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propan-1-ol
428.70
9.7
1
1
20.23
7
Campest-4-en-3,6-dione
412.60
7.8
0
2
34.14
5
Podioda-7,17,21-triene
410.70
10.8
0
0
0
7
(1R,2S,4R)-4-[(2S)-1,2-dihydroxypropan-2-yl]-1-methylcyclohexane-1,2-diol
204.26
-0.8
4
4
80.92
2
Cimiracemoside C
620.80
3.7
5
9
138.07
3
6beta-Hydroxycampest-4-en-3-one
414.70
7.5
1
2
37.3
5
5a-Campestan-3,6-dion
414.70
7.6
0
2
34.14
5
(4aS,6aS,6aS,6bR,8aR,10R,12aS,14bS)-10-acetyloxy-12a-(hydroxymethyl)-2,2,6a,6b,9,9-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
514.70
6.8
2
5
83.83
4
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