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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,8R,9S,17R)-8,17-dihydroxy-13-[2-(6-methoxy-4-oxochromen-2-yl)ethyl]-5-(2-phenylethyl)-6,10-dioxatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),4,11(16),12,14-pentaen-3-one
578.60
4
2
8
119.34
7
2-[(2S)-4-methoxy-6-phenyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol
284.30
3.5
1
3
38.69
3
3,4,5-trihydroxy-2-[[(10R,11S,12R,13S,15R)-3,4,21,22,23-pentahydroxy-8,18-dioxo-11,12,13-tris[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-5-yl]oxy]benzoic acid
1106.80
2.7
18
31
531.17
12
(8R,9S,11bS)-7,8,11-trihydroxy-3,4,9,11b-tetramethyl-8,9-dihydro-1H-naphtho[2,1-f][1]benzofuran-2,6-dione
356.40
1.6
3
6
104.06
0
7-(2-Hydroxypropan-2-yl)-2,2,5,5-tetramethyl-1,3-dihydropyrrolo[3,2-b]pyridin-6-one
250.34
1.3
2
4
61.69
1
(7R)-3,5,5,7,11,11,13-heptamethyl-4,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2,9-trien-12-one
286.40
2.4
1
3
41.46
0
(1S,2S,3R,17S)-3-(3,5-dihydroxyphenyl)-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),9,11(16),12,14-heptaene-5,13,15-triol
678.70
7.5
8
9
174.98
4
(2S,7S)-4,7-dihydroxy-2-(2-hydroxypropan-2-yl)-5-(3-methylbutanoyl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-6-one
378.50
2.6
3
6
104.06
6
[(2R,3S,4S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(R)-(4-hydroxy-3,5-dimethoxyphenyl)-methoxymethyl]oxolan-3-yl]methyl acetate
492.50
2.3
2
10
122.14
11
Eudebeiolide B
262.30
1.3
1
4
63.6
0
5,7-Dihydroxy-8-(3-methylbut-2-enyl)-2-propan-2-ylchromen-4-one
288.34
4.4
2
4
70.67
3
(3R,4R)-4-(4-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)oxolan-2-one
314.30
2.9
1
5
64.99
4
(1S,13S,16S,18S)-18-methoxy-15-methyl-12-(2-phenylethyl)-5,7-dioxa-12,15-diazapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-14-one
432.50
3.4
0
5
51.24
4
(4aR,5R,6S,8R,8aR)-6,8-dihydroxy-3,5,8a-trimethyl-4,4a,5,6,7,8-hexahydrobenzo[f][1]benzofuran-2-one
264.32
1.3
2
4
66.76
0
(2R,11bS)-2,7,11-trihydroxy-3,4,9,11b-tetramethyl-1,2-dihydronaphtho[2,1-f][1]benzofuran-6-one
340.40
2.7
3
5
90.9
0
(5S,7R,8R)-7-methoxy-3-methyl-8-[(1S,3S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-4-enyl]-1,6-dioxaspiro[4.4]non-3-en-2-one
494.70
6.9
0
5
61.83
2
[(3aR,4R,6E,9S,10Z,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
420.50
0.6
2
8
119.36
7
(4aR,7R,8S,8aS,9aR)-7,8,9a-trihydroxy-3,5,8a-trimethyl-4a,7,8,9-tetrahydro-4H-benzo[f][1]benzofuran-2-one
280.32
-0.4
3
5
86.99
0
(1S,3S,8R,9R,10S)-9-[(3S)-3-hydroxy-4-methylpent-4-enyl]-3-(2-hydroxypropan-2-yl)-9-methyl-6,10-bis(3-methylbut-2-enyl)-8-(2-methylpropanoyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione
568.80
7
2
6
100.9
11
(8S)-8-(3,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-2-(4-hydroxy-4-methylpentyl)-2-methyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one
472.50
4
4
8
125.68
6
(4aR,6aR,7R,11aS,11bR)-6a,7-dihydroxy-8-(hydroxymethyl)-4,4,11b-trimethyl-1,2,3,4a,5,6,7,11a-octahydronaphtho[2,1-f][1]benzofuran-9-one
348.40
2.2
3
5
86.99
1
(1S,3S,8R,9R,10S)-8-acetyl-3-(2-hydroxypropan-2-yl)-9-methyl-6,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione
524.70
7.1
1
5
80.67
9
[(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (2E,4E,6S,7S)-6,7-dihydroxytetradeca-2,4-dienoate
644.80
3.4
5
10
170.82
15
(1R,4R,5R,8S,9R,10S)-5-hydroxy-4-(2-hydroxypropan-2-yl)-9-methyl-1,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-8-(2-methylpropanoyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione
568.80
7.5
2
6
100.9
10
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl] (2E)-3,7-dimethylocta-2,6-dienoate
476.50
-0.4
6
11
175.37
9
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