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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
Mirificoumestan
366.40
4.7
2
6
93.04
3
Mirificoumestan hydrate
384.40
3.3
3
7
113.27
4
Diosgenin 3-[glucosyl-(1->4)-rhamnosyl-(1->4)-glucoside]
885.00
0.8
9
17
255.91
8
Isonuatigenin 3-[rhamnosyl-(1->2)-glucoside]
738.90
1.8
7
13
196.99
5
(8aS)-8a-hydroxy-3,3,6,6,8,8-hexamethyl-1,2-benzodioxine-5,7-dione
268.30
1.2
1
5
72.83
0
(3R,8aS)-3-ethyl-8a-hydroxy-3,6,6,8,8-pentamethyl-1,2-benzodioxine-5,7-dione
282.33
1.7
1
5
72.83
1
(3S,8aR)-3-ethyl-8a-hydroxy-3,6,6,8,8-pentamethyl-1,2-benzodioxine-5,7-dione
282.33
1.7
1
5
72.83
1
(3R,8aR)-3-ethyl-8a-hydroxy-3,6,6,8,8-pentamethyl-1,2-benzodioxine-5,7-dione
282.33
1.7
1
5
72.83
1
2-(3,4-dimethoxyphenyl)-7-hydroxy-5-methoxy-4H-chromen-4-one
328.30
1.8
1
6
78.13
4
3'-Hydroxy-5,7,4'-trimethoxyflavone
328.30
1.8
1
6
78.13
4
Chrysoeriol 5-methyl ether
314.29
1.5
2
6
89.13
3
Luteolin 5-methyl ether
300.26
1.2
3
6
100.13
2
10-(Acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo(1,2-b:3,4-b')dipyran-9-yl 2-methyl-2-butenoate
386.40
3.1
0
7
92.04
5
Sinensiaxanthin
410.60
6.4
2
3
52.99
8
3(c)micro pound not4a(c) paragraph sign-Dihydroxy-1(c)micro-methyl-8-methylenegibbane-1(c) paragraph sign pound not10(c)micro-dicarboxylic acid 1 pound not4a-lactone;Gibberellin A51
332.40
1.7
2
5
83.83
1
(6Z,16Z)-6,16-dibutylidene-5,15-dioxapentacyclo[9.5.2.0^{1,13}.0^{2,10}.0^{3,7}]octadeca-3(7),12-diene-4,14-dione
380.50
4.9
0
4
52.6
4
rel-(6R,7R,Z)-3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydroisobenzofuran-1(3H)-one
224.25
0.5
2
4
66.76
2
(3Z,6R,7S)-3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one
224.25
0.5
2
4
66.76
2
(+)-Osbeckic acid
186.12
-0.2
3
6
107.97
3
2-[(1R)-4-methylcyclohexa-2,4-dien-1-yl]propan-2-ol
152.23
1.8
1
1
20.23
1
2-(Hydroxymethyl)-6-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]oxane-3,4,5-triol
346.33
-2
5
9
138.07
6
Odoratin
314.29
2.4
2
6
89.13
3
(3R,4'R)-4',6-dimethylspiro[benzo[g][2]benzofuran-3,2'-oxolane]-1-one
268.31
3.7
0
3
35.53
0
(3S,4'S)-4',6-dimethylspiro[benzo[g][2]benzofuran-3,2'-oxolane]-1-one
268.31
3.7
0
3
35.53
0
7-[(E)-3,7-dimethyl-6-oxooct-2-enoxy]chromen-2-one
314.40
4
0
4
56.51
7
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