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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
1,7,8,12b-Tetrahydro-2,2,4-trimethyl-2h-benzo[6,7]cyclohepta[1,2,3-de][1]benzopyran-5,10,11-triol
326.40
3.9
3
4
69.92
0
(4aR,6aS,6bS,8aS,12aR,14aR,14bR)-4,4,6a,6b,8a,9,9,14b-octamethyl-2,4a,5,7,8,10,11,12,12a,13,14,14a-dodecahydro-1H-picen-3-one
424.70
8.8
0
1
17.07
0
[(3S,4aR,6aS,6bS,8aS,12aR,14aR,14bR)-4,4,6a,6b,8a,9,9,14b-octamethyl-1,2,3,4a,5,7,8,10,11,12,12a,13,14,14a-tetradecahydropicen-3-yl] acetate
468.80
9.7
0
2
26.3
2
[(3R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate
468.80
10.4
0
2
26.3
3
[(1S,2S,6S,7S,9R,11S,13R,14R,16R,17S)-4-methoxy-2,6,14,17-tetramethyl-3-oxo-14-[(3S)-5-oxooxolane-3-carbonyl]-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-16-yl] (E)-2-methylbut-2-enoate
720.80
1.8
4
14
204.58
9
Homovanillin
166.17
0.3
1
3
46.53
3
3-Oxo-Erythrodiol
440.70
7.2
1
2
37.3
1
Isoevodiamine
303.40
3.1
1
2
39.34
0
Butynol
70.09
1.3
1
1
20.23
0
Amorfrutin 4
394.50
7.3
3
4
77.76
9
(3beta,25R)-26-(beta-D-Glucopyranosyloxy)-22-hydroxyfuros T-5-en-3-yl-2-O-(6-deox Y-alpha-L-mannopyranospy)-beta-D-glucopyranoside
903.10
0.4
11
18
287.14
12
(S)-2,3-Dihydro-6-(2-hydroxyethyl)-5-(hydroxymethyl)-2,7-dimethyl-1H-inden-1-one
234.29
1.3
2
3
57.53
3
Dehydronantenine
337.40
4.3
0
5
40.16
2
N-methylpent-4-enehydrazide
128.17
0
1
2
46.33
3
methyl (1R,12S,19R)-5-hydroxy-12-[(1R)-1-hydroxyethyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate
368.40
1.9
3
6
82.03
3
1-(2,6-Dihydroxy-4-methoxy-3,5-dimethylphenyl)-2-methyl-1-propanone
238.28
3.2
2
4
66.76
3
1-(2,6-Dihydroxy-4-methoxy-3,5-dimethylphenyl)-2-methylbutan-1-one
252.31
3.5
2
4
66.76
4
4,4-Dimethylcholesterol
414.70
9.4
1
1
20.23
5
Glucoevatromonoside
666.80
0.9
6
12
184.6
6
(2S)-8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-(2,4,6-trihydroxyphenyl)-2,3-dihydrochromen-4-one
440.50
5.5
5
7
127.45
6
Sophoronol
384.40
3
3
7
105.45
2
(E)-pentadec-3-enal
224.38
6
0
1
17.07
12
Isogomisin O
416.50
4
1
7
75.61
4
2-(Ethoxymethyl)-1,3,5-trihydroxyanthracene-9,10-dione
314.29
2.9
3
6
104.06
3
Senkyunolide N
226.27
0.5
2
4
66.76
3
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