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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
3',4',5'-Trihydroxywogonin
332.26
1.9
5
8
140.59
2
15-Methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-ene-11,14-diol
263.37
1
2
3
43.7
0
(1S,10S,11R,13S,14R,15S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-ene-11,14-diol
263.37
1
2
3
43.7
0
1-[4,6-Dihydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]ethanone
250.29
3.3
2
4
66.76
4
[2-Hydroxy-1,4',6',12',17',17'-hexamethyl-18'-(3,4,5-trihydroxyoxan-2-yl)oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate
676.80
3.3
4
11
156.67
4
Adian-5-ene
410.70
10.5
0
0
0
1
30-Nor-A/'-neogammaceran-22-one
412.70
9.4
0
1
17.07
1
Adlupone
482.70
9
1
4
71.44
11
Adynerigenine
372.50
2.7
1
4
59.06
1
(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,9,10,12,12a,14,14a-dodecahydropicen-3-ol
440.70
7.4
2
2
40.46
1
Aegicerin
456.70
6.4
1
3
46.53
0
Escigenin
488.70
5
4
5
90.15
2
(3R,4R,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bR)-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol
490.70
4.6
5
5
101.15
1
7-hydroxy-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-2-one
340.28
-0.6
5
9
149.82
3
7-hydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
340.28
-0.6
5
9
149.82
3
Aethusanol B
186.25
2.9
1
1
20.23
4
(2E,6E,8Z)-N-(2-methylpropyl)deca-2,6,8-trienamide
221.34
3.6
1
1
29.1
7
kaempferol-3-O-alpha-L-rhamnoside
432.40
1.2
6
10
170.05
3
(25r)-5alpha-Spirostane-2alpha,3beta,5alpha-triol
448.60
4.1
3
5
79.15
0
(1S,6S,9R)-6,10,10-trimethyl-2-methylidene-11-oxatricyclo[7.2.1.01,6]dodecane
220.35
3.3
0
1
9.23
0
Agathadiol
306.50
4.7
2
2
40.46
5
(E)-5-[(1R,4aS,5S,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-en-1-ol
306.50
4.7
2
2
40.46
5
Agatharesinol
286.32
2.3
4
4
80.92
5
(1R,4aR,5S,8aR)-5-[(3E)-4-Carboxy-3-methyl-3-buten-1-yl]decahydro-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylic acid
334.40
4.8
2
4
74.6
5
(E)-5-[(1S,4aR,5R,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid
320.50
4.9
2
3
57.53
5
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