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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
[(4aR,5R,8S,8aR)-5-hydroxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalen-2-yl]methyl acetate
280.40
2.7
1
3
46.53
4
methyl 8-[(1S,5E)-4-oxo-5-[(E)-pent-2-enylidene]cyclopent-2-en-1-yl]octanoate
304.40
5.2
0
3
43.37
11
5,9,11-Trimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one
316.30
4.1
0
5
53.99
4
6-Methoxy-2-[2-(3-methoxy-4-hydroxyphenyl)ethyl]chromone
326.30
3.4
1
5
68.9
5
(1S,6S,7R,13R)-7-[2-(furan-3-yl)ethyl]-2,13-dimethyl-9-oxatricyclo[5.3.3.01,6]tridec-2-ene-4,8-dione
328.40
2.8
0
4
56.51
3
3-methoxy-5-[(Z)-pentadec-10-enyl]phenol
332.50
8.4
1
2
29.46
14
Corymbosin
358.30
2.3
1
7
87.36
5
(2E,12Z)-N-(4-methylpentyl)octadeca-2,12-dienamide
363.60
8.9
1
1
29.1
18
(S)-3-(3,4-Dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl (E)-3-(3,4-dihydroxyphenyl)acrylate
374.30
2.7
4
8
133.52
8
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-methoxy-4-[(1R,2R)-1,2,3-trihydroxypropyl]phenoxy]oxane-3,4,5-triol
376.36
-3.2
7
10
169.3
7
[(2S)-2,3-dihydroxypropyl] (1R,4aR,4bS,8aS,10aR)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthrene-1-carboxylate
378.50
4.8
2
4
66.76
5
5-[(2S,3S)-3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-1,3-benzodioxole
402.50
4.1
0
6
55.38
11
[(1S,2'R,4'S,5S,6S,7S,9S,11R)-2'-formyl-4',7-dihydroxy-1',1'-dimethyl-10-methylidene-2-oxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,3'-cyclohexane]-11-yl] acetate
406.50
0.5
2
7
110.13
3
(S)-[4-[4-[(R)-hydroxy-[(2R)-oxiran-2-yl]methyl]-2,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-[(2S)-oxiran-2-yl]methanol
418.40
1.1
2
8
102.44
9
(3S,3aR,5R,8R,8aS)-8-hydroxy-8-(hydroxymethyl)-3-methyl-5-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1,3,3a,4,5,6,7,8a-octahydroazulen-2-one
432.50
-1.3
6
9
156.91
5
[(1S,2S,4R,6S,8S,9R,10S,11S,13S,15R)-8-acetyloxy-6,11,15-trihydroxy-5,5,9-trimethyl-14-methylidene-2-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
436.50
1.6
3
7
113.29
4
5-[14-(3,5-Dihydroxy-4-methylphenyl)tetradecyl]-2-methylbenzene-1,3-diol
442.60
9.9
4
4
80.92
15
[(1R,5S,6S,7R,8R,9S,10R,11S,13R)-8-acetyloxy-3-(furan-3-yl)-11-hydroxy-5,6,9-trimethylspiro[2-oxatricyclo[7.3.1.05,13]tridec-3-ene-10,2'-oxirane]-7-yl] acetate
446.50
2.3
1
8
107.73
5
(2S,3R,4S,5S,6R)-2-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
448.50
-0.9
6
10
158.3
9
methyl (2R)-2-[[(1S,5S,6R,8aS)-5-[(3R)-3-hydroxy-3-methylpent-4-enyl]-1,5,6-trimethyl-2,3,6,7,8,8a-hexahydronaphthalene-1-carbonyl]amino]-2-phenylacetate
467.60
5.5
2
4
75.63
9
[(4S,6R,6aS,9R,10S,10aS)-6,10-diacetyloxy-3-(ethoxymethyl)-6a,9-dihydroxy-6,9-dimethyl-2-oxo-5,7,8,10-tetrahydro-4H-benzo[h][1]benzofuran-4-yl] acetate
484.50
-1.1
2
11
154.89
9
2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
492.40
1.2
6
12
188.51
5
Glc(b1-6)Glc(b1-4)Glc
504.40
-6.9
11
16
268.68
7
(2R,3R,4S,5S,6R)-2-[(3R,5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)heptan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
508.60
1.6
7
10
169.3
12
26-Deoxyactein
660.80
3.9
3
10
136.44
4
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