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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
(3aS,4R,5E,9R,11aS)-9-hydroperoxy-4-hydroxy-6-methyl-3,10-dimethylidene-4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
280.32
0.8
2
5
75.99
1
(3aR,4S,10E,11aR)-4-hydroxy-10-methyl-3,6-dimethylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2,7-dione
262.30
1.2
1
4
63.6
0
[(3aR,4S,5aR,6R,9aS,9bR)-6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] acetate
306.40
1.6
1
5
72.83
2
(3aR,4R,5aS,6S,9aR,9bS)-4,6-dihydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
264.32
1
2
4
66.76
0
(3aR,4aR,5S,9aR)-4a,5-dimethyl-3-methylidene-4,5,6,7,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
232.32
3.4
0
2
26.3
0
[6-Hydroxy-7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)-4-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
484.80
9.2
1
3
46.53
6
4,10,13,14-Tetramethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-1,2,3-triol
444.70
6.6
3
3
60.69
4
[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienyl] acetate
212.28
1.9
1
3
46.53
6
(2E,8E,10E)-heptadeca-2,8,10,16-tetraen-4,6-diyn-1-ol
240.34
4.6
1
1
20.23
8
(6Z)-6,10-dimethyl-3-propan-2-ylidenecyclodec-6-ene-1,4-dione
234.33
2.8
0
2
34.14
0
Curcumanolides B
234.33
4.3
0
2
26.3
1
[(3aR,4R,6R,6aR,9aR,9bR)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-2-(acetyloxymethyl)-4-hydroxybut-2-enoate
420.50
0.7
2
8
119.36
7
[(3aR,4R,6R,6aR,9aR,9bR)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
378.40
0.1
3
7
113.29
5
20-Hydroxylupan-3-one
442.70
8
1
2
37.3
1
21-Hydroxy-5-methyl-15-methylidene-7-oxa-10-azaheptacyclo[12.6.2.01,11.05,20.06,10.012,17.017,21]docosan-19-one
355.50
1.6
1
4
49.77
0
21-Hydroxy-5-methyl-15-methylidene-7-oxa-10-azaheptacyclo[12.6.2.01,11.05,20.06,10.012,17.017,21]docosane-19,22-dione
369.50
0.9
1
5
66.84
0
Alstonisine
338.40
0.8
1
4
58.64
1
methyl (1S,10S,11S,12Z,17S)-12-ethylidene-2-oxo-9,14-diazapentacyclo[9.5.2.01,9.03,8.014,17]octadeca-3,5,7-triene-10-carboxylate
338.40
2.1
0
5
49.85
2
1-[7-[(16-Hydroxy-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraen-17-yl)methyl]-6-methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaen-17-yl]ethanone
704.90
4.4
1
7
81.33
4
(3aS,4R,5E,9E,11aS)-3a,4,7,8,11,11a-Hexahydro-4-hydroxy-6,10-dimethyl-3-methylenecyclodeca[b]furan-2(3H)-one
248.32
1.9
1
3
46.53
0
(1S,2S,3R,5S,8E,11S)-2-hydroxy-5,9-dimethyl-14-methylidene-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-13-one
264.32
1.4
1
4
59.06
0
(1S,2S,3S,5R,8E,11S)-2-hydroxy-5,9-dimethyl-14-methylidene-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-13-one
264.32
1.4
1
4
59.06
0
(1S,2S,3R,5R,8E,11S)-2-hydroxy-5,9-dimethyl-14-methylidene-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-13-one
264.32
1.4
1
4
59.06
0
(1S,3R,5R,8E,10R,11S)-10-hydroxy-3,8-dimethyl-12-methylidene-4,14-dioxatricyclo[9.3.0.03,5]tetradec-8-en-13-one
264.32
1.2
1
4
59.06
0
[(1R,2R,4R,6R,8S,9Z,11R)-8-acetyloxy-9-(hydroxymethyl)-4-methyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] (Z)-2-methylbut-2-enoate
420.50
1.2
1
8
111.66
6
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