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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
[(1R,2S,3R,4S,4aS,8aR)-4-[(1S)-1-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-3-hydroxy-3,4,8,8a-tetramethyl-2-(2-methylpropanoyloxy)-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] pyridine-3-carboxylate
583.70
3.7
1
10
138.32
11
[(1R,2S,3R,4S,4aS,8aR)-2-acetyloxy-4-[(1S)-1-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-3-hydroxy-3,4,8,8a-tetramethyl-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] acetate
492.60
2.1
1
9
125.43
9
[(1R,2S,3R,4S,4aS,8aR)-4-[(1S)-1-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-3-hydroxy-3,4,8,8a-tetramethyl-2-(pyridine-3-carbonyloxy)-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] pyridine-3-carboxylate
618.70
3.3
1
11
151.21
11
[(1R,2S,3R,4R,4aS,7S,8aR)-2-benzoyloxy-3,7-dihydroxy-3,4,8a-trimethyl-8-methylidene-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-1,2,4a,5,6,7-hexahydronaphthalen-1-yl] benzoate
572.60
4.5
2
8
119.36
8
4-[(1E)-2-[(1R,2R,3S,4R,4aR,8aS)-3,4-Bis(acetyloxy)-1,2,3,4,4a,7,8,8a-octahydro-2-hydroxy-1,2,4a,5-tetramethyl-1-naphthalenyl]ethenyl]-2(5H)-furanone
432.50
2.5
1
7
99.13
6
(2S,7S)-7-(4-hydroxyphenyl)-2-(2-hydroxypropan-2-yl)-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-one
340.40
2.6
2
5
75.99
2
(2S)-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[2,3-h]chromen-4-one
338.40
2.7
2
5
79.9
2
(2Z,7R)-2-[(3,4-dihydroxyphenyl)methylidene]-7-(2-hydroxypropan-2-yl)-7,8-dihydrofuro[2,3-g][1]benzofuran-3-one
354.40
2.9
3
6
96.22
2
3-[(3S,4S)-3,4-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-7-hydroxychromen-4-one
354.40
1.7
3
6
100.13
1
3-[(3S,4R)-3,4-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-7-hydroxychromen-4-one
354.40
1.7
3
6
100.13
1
(5S,6S)-5,16-dihydroxy-6-(2-hydroxypropan-2-yl)-7,11,19-trioxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaen-20-one
368.30
2.6
3
7
113.27
1
(6S,7E)-6-ethenyl-8-(4-hydroxyphenyl)-2,6-dimethylocta-1,7-dien-3-one
270.40
4.6
1
2
37.3
7
7-hydroxy-3-[(3S)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]chromen-4-one
338.40
2.8
2
5
79.9
1
(6S)-16-hydroxy-6-(2-hydroxypropan-2-yl)-7,11,19-trioxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,8,13(18),14,16-heptaen-20-one
352.30
3.1
2
6
93.04
1
2-(2,6-Dichloro-3,5-dimethoxyphenyl)furo[2,3-h]chromen-4-one
391.20
4.8
0
5
61.81
3
6-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
580.50
-1.3
10
15
260.2
6
(2S,4R)-4-hydroxy-1-methylpiperidine-2-carboxylic acid
159.18
-2.5
2
4
60.77
1
[(2S,3S,4R,5R)-4-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyoxolan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
930.90
1.2
8
22
314.58
22
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-5-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]-2-(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
960.90
1.2
8
23
323.81
23
(7S)-4-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-2-(2-hydroxy-6-methylhept-5-en-2-yl)-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-one
454.50
4.7
3
7
105.45
6
(2S)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-(2-hydroxy-7-methyl-3-methylideneoct-6-enyl)-2,3-dihydrochromen-4-one
454.50
5.1
4
7
116.45
8
(7R,8R)-5,7-dihydroxy-8-(4-hydroxy-3-methoxyphenyl)-2-methyl-2-(4-methylpent-3-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
452.50
5
3
7
105.45
5
(2S)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-2,3-dihydrochromen-4-one
468.50
6.1
3
7
105.45
8
(2S)-6-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
442.50
3.9
5
7
127.45
7
(2S)-5,7-dihydroxy-6-[(E)-6-hydroxy-7-methoxy-3,7-dimethyloct-2-enyl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
456.50
4.4
4
7
116.45
8
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