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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
(3S)-7-hydroxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one
314.29
2.5
1
6
74.22
2
(3S)-3-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one
354.40
3.5
3
6
96.22
1
(E,8R)-8-hydroxypentadec-9-en-11,13-diyn-2-one
232.32
2.5
1
2
37.3
8
2,2,4,4-tetramethyl-6-[(2R)-2-methylbutanoyl]cyclohexane-1,3,5-trione
266.33
3
0
4
68.28
3
(2S,3R,5S,9R,10R,13R,14S,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6,7-tetrahydroxy-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
512.60
-1.4
8
9
178.91
6
(E,8R)-8-hydroxytetradec-9-en-11,13-diyn-2-one
218.29
2
1
2
37.3
8
(3S)-3-(2,4-dihydroxyphenyl)-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
340.40
3.9
3
5
86.99
3
(3R)-3-(2,4-dihydroxyphenyl)-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
340.40
3.9
3
5
86.99
3
(2E,6E,9R)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoic acid
252.35
3.8
2
3
57.53
7
(3S)-3,6,8-trihydroxy-3-methyl-4H-isochromen-1-one
210.18
1.3
3
5
86.99
0
Caffeoxylupeol
588.90
11.8
2
4
66.76
5
(3S)-3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
356.40
4.1
4
6
107.22
3
[(2S,4R,4aR,5S,7R,8S,8aR)-8-[(2S,3aS,5R,6aR)-5-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-2-yl]-5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-2-yl] (2R)-2-methylbutanoate
552.70
3.3
1
10
130.12
10
Pseudocarene
136.23
3
0
0
0
0
methyl (1S,4R,5S,9S,10R,12S)-16-(2-hydroperoxypropan-2-yl)-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylate
380.50
2.8
1
6
74.22
4
methyl (1S,4R,5S,9S,10R,12S)-16-(2-hydroxypropan-2-yl)-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylate
364.50
2.7
1
5
64.99
3
(3aR,4S,6aR,9aR,9bR)-Dodecahydro-3,6,9-tris(methylene)-2,8-dioxoazuleno[4,5-b]furan-4-yl 2-(hydroxymethyl)-2-propenoate
344.40
1
1
6
89.9
4
CID 12149911
282.33
0.8
3
5
86.99
1
(2S,6R)-6-[(3S,5R,8S,10S,13S,14S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
470.70
5.4
2
4
74.6
6
methyl (2S,6R)-6-[(3S,5R,8S,10S,13S,14S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate
484.70
5.8
1
4
63.6
7
(2S,6R)-6-[(3R,5R,8S,10S,13S,14S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
470.70
5.4
2
4
74.6
6
(E,6R)-6-[(3S,5S,8S,9R,10S,13R,14S,17R)-3,9-dihydroxy-4,4,10,13,14-pentamethyl-1,2,3,5,6,7,8,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enal
458.70
7.2
2
3
57.53
5
4-Ethoxyphenol
138.16
1.8
1
2
29.46
2
Turraflorin A
538.60
3.9
0
8
109.11
9
(1r)-2-[(2r)-1-Methylpiperidin-2-yl]-1-phenylethanol
219.32
2.4
1
2
23.47
3
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