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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
2,5-Dimethyltetrahydrofuran
100.16
1.2
0
1
9.23
0
6-(2-Hydroxy-5-methylphenyl)-6-methylheptan-2-one
234.33
3.6
1
2
37.3
5
CID 13855360
404.50
1.7
1
7
98.5
4
[(2R)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-3-phenylpropyl] acetate
444.50
4.4
2
4
84.5
11
benzyl 3-(1H-indol-3-yl)propanoate
279.30
3.6
1
2
42.09
6
2-Hydroxy-3-methoxy-12-methyl-12h-[1,3]dioxolo [4',5':4,5]benzo[1,2-c]-phenanthridin-13-one
349.30
3.3
1
5
69.92
1
(1R,13R,15S)-5,7-Dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-15-ol
273.33
1.8
1
4
41.93
0
(2R,3R,11bS)-3-ethyl-2-(2-hydroxyethyl)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-10-ol
305.40
2.7
2
4
52.93
4
(1S,2R,3R,6S,7R,8S)-3,7-dimethyl-10-propan-2-yl-11,12-dioxatricyclo[5.3.2.02,6]dodec-9-en-8-ol
252.35
2.4
1
3
38.69
1
(1R,2R,3R,6S,7S)-3,7-dimethyl-10-propan-2-yl-11,12-dioxatricyclo[5.3.2.02,6]dodec-9-en-8-one
250.33
2.8
0
3
35.53
1
Zqoleeahzkxyol-altyaodhsa-
250.33
2.8
0
3
35.53
1
Alpinenone
250.33
2
1
3
46.53
1
(5S)-5-[(1R,2R,5R)-2-acetyl-5-methylcyclopentyl]-5-hydroxy-4-propan-2-ylfuran-2-one
266.33
1.6
1
4
63.6
3
6-methyl-3-methylidene-9-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione
422.40
-1.3
4
9
142.75
4
Ghsrdmybbwwngl-nppwktabsa-
422.40
-1.3
4
9
142.75
4
(3aS,6E,9S,10E,11aS)-6,10-dimethyl-3-methylidene-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
410.50
0.1
4
8
125.68
3
Sonchuside C
412.50
0.1
4
8
125.68
3
(3S,3aS,5aS,8S,9bS)-3,5a,9-trimethyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-2-one
412.50
0.1
4
8
125.68
3
(3S,3aS,5aS,8S,9bS)-3,5a,9-trimethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-2-one
412.50
0.1
4
8
125.68
3
(3aS,5aR,6R,9aS,9bS)-5a-methyl-3,9-dimethylidene-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
410.50
0.5
4
8
125.68
3
(3aS,5aS,6S,9aR,9bR)-6-hydroxy-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
248.32
2
1
3
46.53
0
CID 13855759
484.60
2.3
6
8
139.84
8
(2R,3R,4S,5S,6R)-2-[[(1S,2R,4aS,5R,8aS)-2-hydroxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
484.60
1.7
6
8
139.84
8
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aS,5R,8aS)-1,4a-dimethyl-6-methylidene-5-[(E)-3-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-3-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
644.70
1.2
8
13
215.83
11
(2R,3R,4S,5S,6R)-2-[(E)-5-[(1R,4aS,5S,8aS)-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
630.80
1.5
8
12
198.76
11
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