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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
(4aS,6R,6aS,6aR,8aR,12aR,14aR,14bS)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-6-ol
426.70
9.5
1
1
20.23
0
[(8S)-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-[(1R)-1-methoxyethyl]-3-methylbutanoate
313.39
0.5
1
5
78.82
7
(1S,4S,5R,8R,9R,10S,13S,14R,17S,18R)-10-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-2-one
779.00
2.2
7
13
204.83
6
(Z)-2-acetyloxy-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
252.22
1.7
2
6
93.06
5
3,3,5-trimethyl-1-(3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazol-10-yl)-2,11-dihydro-1H-pyrano[3,2-a]carbazole
528.70
9
2
2
50.04
1
Dihydro-4-(hydroxymethyl)-3,5-dimethyl-2
144.17
0.4
1
3
46.53
1
4-[(2S,3S)-4-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
346.40
3.8
3
5
79.15
7
Bengalensol
330.40
1.7
1
4
55.76
1
(1R,3S,4R,5R,7S)-4-methyl-1,3,7-tris(3-methylbut-2-enyl)-4-(4-methylpent-3-enyl)-5-(2-methylpropanoyl)-8-oxabicyclo[5.2.1]decane-6,9,10-trione
552.80
9.9
0
5
77.51
11
(1S,3R,12R,15R,16S,18R)-11,11,15-trimethyl-1,16,18-tris(3-methylbut-2-enyl)-20-oxapentacyclo[16.2.1.03,12.03,15.05,10]henicosa-5,7,9-triene-2,4,19,21-tetrone
584.80
10
0
5
77.51
6
Luteolin 7-O-(2-apiosyl-6-malonyl)-glucoside
666.50
-1
9
18
292.57
11
(1S,8S,11S)-4,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-4-ene
204.35
4.3
0
0
0
0
7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-(4-hydroxy-3-methoxyphenyl)chromen-4-one
578.50
-1.1
7
14
217.97
8
3-(1,3-benzodioxol-5-yl)-7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one
576.50
-0.9
6
14
206.97
7
(2R,3R,10R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-8-one
496.50
2.5
5
10
155.14
4
cyclo[Leu-Met-Pro-Phe-Phe-Trp-Val-Met(O)]
1068.40
5.2
8
11
301.38
15
4-Benzyl-5-hydroxy-1,7-diphenylheptan-3-one
372.50
5.5
1
2
37.3
10
(2R,4aR,6aR,6bR,8aR,12aR,14aS,14bR)-2,4a,6b,9,9,12a,14a-heptamethyl-10-oxo-3,4,5,6a,7,8,8a,11,12,13,14,14b-dodecahydro-1H-picene-2-carboxylic acid
454.70
7.3
1
3
54.37
1
4-Methoxy-5-methyl-8-propan-2-yl-9-oxatricyclo[6.3.2.02,7]trideca-2(7),3,5-trien-3-ol
276.40
3.4
1
3
38.69
2
(1S,3R,4R,4aS,8aR)-4-[2-(furan-3-yl)ethyl]-1,4-dihydroxy-3,4a,8,8-tetramethyl-3,5,6,8a-tetrahydro-1H-naphthalene-2,7-dione
348.40
1.9
2
5
87.74
3
Methyl glycyrrhetinate
484.70
6.7
1
4
63.6
2
ethyl (3R,3'S,4'R)-4',6-dimethyl-1-oxospiro[benzo[e][2]benzofuran-3,2'-oxolane]-3'-carboxylate
340.40
3.6
0
5
61.83
3
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aS,6aS,6bS,8aR,9S,10R,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,9,12a-pentamethyl-3,4,5,6,6a,6b,7,8,8a,10,11,12,13,14b-tetradecahydro-2H-picene-4a-carboxylate
636.80
3.1
7
10
177.14
5
(4aS,6S,8aR)-4,8a-dimethyl-6-[(2E)-6-methyl-4-oxohepta-2,5-dien-2-yl]-1,4a,5,6,7,8-hexahydronaphthalen-2-one
300.40
4.6
0
2
34.14
3
(4aS,6S,8aR)-4a-hydroperoxy-4,8a-dimethyl-6-[(2R)-6-methyl-4-oxohept-5-en-2-yl]-5,6,7,8-tetrahydro-1H-naphthalen-2-one
334.40
3
1
4
63.6
5
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