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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
(2E,4E,14E)-1-piperidin-1-yloctadeca-2,4,14-trien-1-one
345.60
7.5
0
1
20.31
13
(2E,8E,10E)-16-hydroxyhexadeca-2,8,10-trien-4,6-diynal
242.31
3.1
1
2
37.3
8
(6E,8E,12E,14E)-hexadeca-6,8,12,14-tetraen-10-yn-1-ol
230.34
4.5
1
1
20.23
7
[(3aR,4R,6E,10Z,11aR)-6-formyl-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate
360.40
1.6
1
6
89.9
5
[(3aS,4S,5S,6E,10Z,11aR)-5-acetyloxy-6-formyl-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate
418.40
1.1
1
8
116.2
7
[(3aS,4S,5S,6E,10Z,11aR)-6-formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate
376.40
1.1
2
7
110.13
5
(2R)-2-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methyl-1,2-dihydropyrrol-5-one
437.40
-3.7
8
12
207.63
6
(2R)-4-methyl-2-[[(2S)-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]oxy]-1,2-dihydropyrrol-5-one
208.21
-0.1
2
3
67.43
2
[(3aS,5R,5aR,7S,8aR,9aR)-8a-hydroxy-1,8-dimethylidene-2-oxospiro[4,5a,6,7,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-5,2'-oxirane]-7-yl] acetate
320.30
0.2
1
6
85.36
2
[(3aS,5R,5aR,7S,8aR,9aR)-5-(chloromethyl)-5,8a-dihydroxy-1,8-dimethylidene-2-oxo-4,5a,6,7,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-7-yl] propanoate
370.80
0.9
2
6
93.06
4
(3aS,5R,5aR,7S,8aR,9aR)-5-(chloromethyl)-5,7,8a-trihydroxy-1,8-dimethylidene-4,5a,6,7,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2-one
314.76
-0.1
3
5
86.99
1
(3S,3aS,5S,6aR,8S,9aR,9bS)-5,8-dihydroxy-3-methyl-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
264.32
0.3
2
4
66.76
0
(1S,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbaldehyde
286.50
4.7
0
1
17.07
2
(1S,2S,6aR,6aR,6bR,8aR,9R,10R,12aR,14aR,14bS)-2,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-6,6a,7,8,8a,10,11,12,13,14,14a,14b-dodecahydro-1H-picene-1,10-diol
458.70
6
4
4
80.92
2
(3R,4S,4aR,6aR,6aR,6bR,11S,12S,12aS,14aR,14bR)-3,12-dihydroxy-11-(hydroxymethyl)-4,6a,6b,11,14b-pentamethyl-2,3,4a,5,6,6a,7,12,12a,13,14,14a-dodecahydro-1H-picene-4-carbaldehyde
456.70
5.8
3
4
77.76
2
dimethyl (2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate
692.90
4.3
5
11
172.21
7
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1091.20
-1.1
14
23
374.13
12
(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,3E,5R)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
572.80
7.1
4
6
99.38
8
(5I+/-,7I(2))-7,14-Dihydroxycard-20(22)-enolide
374.50
3.2
2
4
66.76
1
(3E,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]oxolan-2-one
354.40
3.4
1
6
74.22
4
(3Z,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]oxolan-2-one
354.40
3.4
1
6
74.22
4
(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3-hydroxy-4-methoxyphenyl)methyl]oxolan-2-one
356.40
3.5
1
6
74.22
5
(1R)-6-methoxy-2-methyl-2-oxidospiro[3,4-dihydroisoquinolin-2-ium-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-7-ol
355.40
2.5
1
5
70.98
1
(1S,8'R)-6-methoxy-2-methyl-2-oxidospiro[3,4-dihydroisoquinolin-2-ium-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-7,8'-diol
371.40
1.4
2
6
91.21
1
gamma-glutamyl-S-allylmercaptocysteine
322.40
-2.8
4
8
180.32
11
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