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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
6-(Hydroxymethyl)-1,5,5-trimethylbicyclo[2.1.1]hexan-2-one
168.23
0.9
1
2
37.3
1
(2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-2,6,6-trimethylpyran-3-one
250.33
2.1
0
3
35.53
2
CID 101638269
236.35
2.2
1
2
37.3
2
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bS)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
957.10
1.3
11
19
312.05
9
5-[(E)-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-ylidene]-hydroxymethyl]-6-hydroxy-2-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione
593.50
-2.2
12
15
277.93
6
Vincosamide
498.50
0.4
5
8
144.71
4
(3S,4S,5S,9R,10S,13R,14R,17R)-17-[(2R,5S)-5,6-dimethylhept-6-en-2-yl]-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
412.70
8.9
1
1
20.23
5
(3R)-10,10-dimethyl-2,6-dimethylidenebicyclo[7.2.0]undecan-3-ol
220.35
3.3
1
1
20.23
0
methyl (1S,2R,9S,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxylate
292.37
1.7
0
3
49.85
3
(3S,4S,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid
664.80
3.4
7
11
194.21
5
3-[(3S,5S,8R,9S,10R,11R,13R,14S,17R)-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,11,14-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
538.60
0.1
6
10
166.14
4
(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
566.60
-1.2
6
11
183.21
5
[(1S,12S,14S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-trien-14-yl] acetate
331.40
2.5
0
5
48
3
(3R,5R)-1,3,5-trihydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]cyclohexane-1-carboxylic acid
322.31
0.2
5
7
135.29
4
2(5H)-Furanone, 5-hydroxy-4-(7-hydroxy-2H-1-benzopyran-3-yl)-5-methyl-
260.24
0.6
2
5
75.99
1
(Z)-3-(7-hydroxy-2H-chromen-3-yl)-4-oxohex-2-enedioic acid
304.25
0.6
3
7
121.13
5
(11S,12R,13S,14R,17S,18S)-17-ethyl-3-methyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraene-11,14-diol
342.40
1.3
3
4
66.65
1
(1R,4E,9S)-11,11-dimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene-4-carbaldehyde
218.33
3.6
0
1
17.07
1
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S)-4,5-dihydroxy-2-[(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
708.90
2.1
6
12
176.76
4
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
738.90
2
7
13
196.99
5
(2S)-1-[[(3R,3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a-methyl-9-methylidene-2,3,3a,4,5,6,7,8,9a,9b-decahydrobenzo[g][1]benzofuran-3-yl]methyl]pyrrolidine-2-carboxylic acid
349.50
-0.3
2
5
70
3
2-Pentenoic acid, 3-methyl-, octahydro-1-(1-hydroxyethyl)-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl ester, [1S-[1I+/-(S*),3aI(2),5I(2)(E),7I+/-,7aI+/-]]-
348.50
4.1
1
4
63.6
6
2-Butenoic acid, 2-methyl-, 1-[1-(acetyloxy)ethyl]octahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl ester, [1S-[1I+/-(S*),3aI(2),5I(2)(Z),7I+/-,7aI+/-]]-
376.50
3.5
0
5
69.67
7
2-Butenoic acid, 3-methyl-, 1-[1-(acetyloxy)ethyl]octahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl ester, [1S-[1I+/-(S*),3aI(2),5I(2),7I+/-,7aI+/-]]-
376.50
3.7
0
5
69.67
7
[(1R,4S,4aS,5S,7R,8aR)-4-[(1R)-1-acetyloxyethyl]-1-(2-methylbutanoyloxy)-8-methylidene-3-oxo-5-propan-2-yl-4,4a,5,6,7,8a-hexahydro-1H-isochromen-7-yl] (E)-3-methylpent-2-enoate
506.60
5.7
0
8
105.2
12
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