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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
Isoivaxillin
266.33
1.8
0
4
51.36
0
[(3S,3aS,6S,6aS,7S,10aR)-7-[(3S)-3-acetyloxy-4-hydroxy-4-methylpentyl]-3-hydroxy-7-methyl-4-methylidene-3,3a,5,6,6a,8,9,10-octahydro-1H-benzo[d][2]benzofuran-6-yl] acetate
438.60
2.7
2
7
102.29
8
[(3R,3aS,6S,6aS,7S,10aR)-3-acetyloxy-7-[(3S)-3-acetyloxy-4-hydroxy-4-methylpentyl]-7-methyl-4-methylidene-3,3a,5,6,6a,8,9,10-octahydro-1H-benzo[d][2]benzofuran-6-yl] acetate
480.60
3.3
1
8
108.36
10
Methoxybrassitin
250.32
2.5
1
3
68.56
4
(4aS,8aR)-5,5,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalene-2-carbaldehyde
220.31
3.4
0
2
34.14
1
Oleanolic acid 3-[glucosyl-(1->4)-xyloside]
751.00
4.4
7
12
195.6
6
CID 13993928
336.40
2.8
1
3
45.33
3
Erycristin
406.50
6.5
1
4
47.92
5
(E)-4-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-2-(2-hydroxyethyl)but-2-enal
304.50
4.6
1
2
37.3
5
15,16-Dinor-8(17),11-labdadien-13-one
260.40
5
0
1
17.07
2
Benzyl-2,3,5,6-tetramethoxybenzoate
332.30
3.2
0
6
63.22
8
[(3aR,4R,6aR,7R,9aR,9bR)-7-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-2-(acetyloxymethyl)-4-hydroxybut-2-enoate
418.40
0.1
2
8
119.36
7
[(3aR,4R,6aR,7R,9aR,9bR)-7-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate
360.40
0.8
2
6
93.06
4
[(3aR,4R,6aR,7R,9aR,9bR)-7-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
376.40
-0.4
3
7
113.29
5
(5S,6aS,7R,8R,10aS)-5-hydroxy-7,8-dimethyl-7-[2-(5-oxo-2H-furan-3-yl)ethyl]-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one
346.40
2.5
1
5
72.83
3
(5S,6aS,7R,8R,10aS)-7,8-dimethyl-7-[2-(5-oxo-2H-furan-3-yl)ethyl]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one
508.60
0.9
4
10
151.98
6
13-Methyl-3,5,8-trioxa-13-azapentacyclo[10.8.0.02,6.07,11.014,19]icosa-1,6,9,11,14,16,18-heptaen-20-one
293.27
3.3
0
5
53.6
0
6-(2-Methylbut-3-en-2-yl)-[1,3]dioxolo[4,5-h]chromen-8-one
258.27
3.2
0
4
48.67
2
3-[4-[[(1R)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4-methoxybenzaldehyde
652.70
5.7
0
9
96
11
Maroumin
638.70
5.4
1
9
107
10
11-Methoxy-henningsamine
424.50
1.3
0
6
68.31
3
11-Methoxydiaboline
382.50
0.7
1
5
62.24
1
2alpha-Hydroxy-dihydroparthenolide
266.33
1.3
1
4
59.06
0
(1S,4S,5R,9S,10R,13S,14R)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
336.50
3.4
3
4
77.76
2
(1aS,3aR,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarbaldehyde
232.32
2.4
0
2
34.14
2
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