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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
(1S,3R,8R,11S,12S,15S,16R)-15-(5-hydroxy-6-methylhept-6-en-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
442.70
8.6
2
2
40.46
5
Aglaroxin E
535.60
2.8
2
8
106.92
7
C-3'-Hydroxyrocaglamide; Roc D
521.60
2.5
3
8
117.92
6
2-[(4bS,8aR)-10-acetyloxy-1-hydroxy-4b,8,8-trimethyl-3,4-dioxo-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]propyl acetate
432.50
3.1
1
7
106.97
6
3-[2-[(1R,4aR,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-methoxyoxolan-2-one
332.50
5.5
0
3
35.53
3
methyl (12S,13R,14Z)-14-ethylidene-12-(hydroxymethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraene-12-carboxylate
340.40
1.3
2
4
65.56
3
(+)-Bornyl p-coumarate
300.40
4.8
1
3
46.53
4
(3aS,6aS,10aS)-10-hydroxy-3,6-dimethyl-9-methylidene-3a,4,5,6,6a,7,8,10-octahydro-3H-benzo[h][1]benzofuran-2-one
250.33
2.3
1
3
46.53
0
3-methyl-5-[4-[(2R)-2-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one
317.40
2.7
0
5
55.84
5
(1R,4aR,5R,8aR)-1,4a-dimethyl-6-methylidene-5-(3-methylpenta-2,4-dienyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
302.50
5.7
1
2
37.3
4
Humulene oxide II
220.35
3.8
0
1
12.53
0
(3S)-5-[(1R,4aR,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-1-en-3-ol
290.50
5.7
1
1
20.23
4
(1S,2S,6E,10S,11S,16E)-6,16-di(butylidene)-5,15-dioxapentacyclo[9.5.2.01,13.02,10.03,7]octadeca-3(7),12-diene-4,14-dione
380.50
4.9
0
4
52.6
4
(3S,3'E,5'aR,6'S,7'aS)-3'-butylidene-6'-propylspiro[4,5-dihydro-2-benzofuran-3,7'-5,5a,6,7a-tetrahydro-4H-cyclobuta[g][2]benzofuran]-1,1'-dione
380.50
4.5
0
4
52.6
4
6-(Hydroxymethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
204.26
2.1
1
2
37.3
1
[(4aR,7R,7aR)-6-acetyloxy-4a-hydroxy-1-(3-methylbutanoyloxy)spiro[1,5,6,7a-tetrahydrocyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methyl-2-(3-methylbutanoyloxy)butanoate
540.60
2.5
1
11
147.19
15
Nonin A
300.30
3.1
2
5
75.99
3
5,7-Dihydroxy-6-(4-hydroxy-3-methylbut-2-enyl)-2-methylchromen-4-one
276.28
2.4
3
5
90.9
3
trans-Norpterosin C pound>>trans-NorpterosinC
220.26
1
2
3
57.53
1
Desacetoxyvindorosine
369.50
2.8
2
4
54.21
3
Eutypine
186.21
2.8
1
2
37.3
3
Cycloheptanol, 2-chloro-, trans-
148.63
2
1
1
20.23
0
8-Methoxy-2,2-dimethylchromene
190.24
2.8
0
2
18.46
1
5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
462.40
0.8
6
11
179.28
5
(2R)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
392.50
6
2
4
66.76
5
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