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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
4-Methoxy-6,6,9-trimethylbenzo[c]chromene-2,3-diol
286.32
3.3
2
4
58.92
1
ent-Kaur-16-en-19-al
286.50
5.4
0
1
17.07
1
1-(3-(6,7-Dimethoxyisoquinolin-1-yl)propyl)guanidine
288.34
1.2
2
4
95.75
6
N-[2-(3,4-dihydroxyphenyl)ethyl]-3,4-dihydroxybenzamide
289.28
1.7
5
5
110.02
4
Neridienone A
326.40
2.3
1
3
54.37
1
Karanjin
292.30
3.8
0
4
52.58
2
2-Undecyl-4(1H)-quinolinone
299.40
7.1
1
2
32.86
10
cynandione A
302.28
2.6
4
6
115.06
3
[(3aS,6S,6aR,9S,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methylidene-2-oxo-3a,4,5,6,7,8,9,9b-octahydroazuleno[8,7-b]furan-9-yl] acetate
308.40
2.2
1
5
72.83
2
(12S)-18-methoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaen-19-ol
311.30
2.4
2
5
59.95
1
(10aS)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-9,10-dione
314.40
5
1
3
54.37
1
6-Methyl-2,4-dihydroxyphenyl 4-o-methyl-beta-d-glucopyranoside
316.30
-0.6
5
8
128.84
4
(3Z)-3-[2-[(1R,2S,4aS,8aS)-5,5,8a-trimethylspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl]ethylidene]oxolan-2-one
318.40
4.6
0
3
38.83
2
Neolitsine
323.30
3.1
0
5
40.16
0
abyssinone II
324.40
4.1
2
4
66.76
3
Benz[g]isoquinoline-5,10-dione
209.20
1.8
0
3
47.03
0
5,3',4'-Trihydroxy-7-methoxy-6,8-dimethylflavone
328.30
3.4
3
6
100.13
2
(1S,2S,6S,7R)-2-[2-(furan-3-yl)-2-oxoethyl]-7-methyl-3-methylidene-9-oxatricyclo[5.3.3.01,6]tridecan-10-one
328.40
3.1
0
4
56.51
3
Lithospermoside
329.30
-3.3
6
9
163.63
3
2,9,10-Trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-3-one
337.40
1.4
0
5
48
3
(12S,13S)-13,16-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene
339.40
2.7
0
5
40.16
2
Methylophiopogonone A
340.30
3.9
2
6
89.13
2
Rapanone
322.40
6.5
2
4
74.6
12
Garciniaxanthone H
342.30
4.4
3
6
100.13
3
(1S,5S,5'R,6S,9R)-5'-(hydroxymethyl)-4',4',10-trimethylspiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,6'-cyclohex-2-ene]-1',2,11-trione
346.40
2.3
1
5
80.67
1
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