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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
[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1253.40
-2.3
17
28
453.28
15
[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-5-(hydroxymethyl)oxolan-3-yl] benzoate
1297.20
-2.9
15
33
500.95
28
D-threonolactone
118.09
-1.3
2
4
66.76
0
3-(3-Hydroxypropyl)phenol
152.19
1.5
2
2
40.46
3
Deca-4,6-diynoic Acid
164.20
2.2
1
2
37.3
4
(2E,6R)-8-hydroxy-2,6-dimethyl-2-octenoic acid
186.25
1.9
2
3
57.53
6
1(2H)-Naphthalenone, 3,4-dihydro-4-hydroxy-3,6-dimethyl-, (3S,4S)-
190.24
1.7
1
2
37.3
0
(3S,4R)-4-hydroxy-3,6-dimethyl-3,4-dihydro-2H-naphthalen-1-one
190.24
1.7
1
2
37.3
0
2-(3-methylbut-3-enyl)-7H-purin-6-amine
203.24
1.8
2
4
80.48
3
(4aS,5R)-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one
218.33
4.1
0
1
17.07
0
(1R,2S,5R,7R,8S)-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-ol
222.37
4.3
1
1
20.23
0
1-Hydroxy-6-methoxy-3-methylcarbazole
227.26
3.4
2
2
45.25
1
6-methoxy-3-methyl-9H-carbazol-2-ol
227.26
3.4
2
2
45.25
1
2-[(2R,4aR)-4a,8-dimethyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]prop-2-enoic acid
232.32
3.6
1
2
37.3
2
Cyclohexene, 1-methyl-3-(1-methylethenyl)-
136.23
3.6
0
0
0
1
(4Ar,5R,6S,8aR)-3-acetyl-6-hydroxy-4a,5-dimethyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one
236.31
1.7
1
3
54.37
1
arenaran B
238.37
3.2
0
2
21.76
0
d-Glycero-d-ido-octulose
240.21
-4.5
7
8
158.68
7
1,6-dimethoxy-3-methyl-9H-carbazole
241.28
3.7
1
2
34.25
2
Furomollugin
242.23
3.6
1
4
59.67
2
Heliannuol B
248.32
2.9
2
3
49.69
1
Ethyl 3-methyl-9H-carbazole-9-carboxylate
253.29
4.4
0
2
31.23
2
Arecaidine
141.17
-2.3
1
3
40.54
1
Gymnasterkoreayne F
258.35
3.7
2
2
40.46
9
Methyl 3-hydroxyhexadecanoate
286.40
6.1
1
3
46.53
15
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