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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
(3aR,5R,6S,7S,7aR)-6,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-one
327.29
-0.4
4
8
128.92
3
[(1S,8S,11R,12S,13R,18R,19R)-13-hydroxy-14,14,18-trimethyl-9,17-dioxo-4,10-dioxapentacyclo[9.7.1.03,7.08,19.013,18]nonadeca-3(7),5-dien-12-yl] acetate
402.40
1.6
1
7
103.04
2
(1S,3S,4aS,6aS,6bS,8aR,11R,12S,12aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13-dodecahydro-1H-picene-1,3-diol
440.70
7.4
2
2
40.46
0
Gymnoside I
458.50
0.2
6
11
183.21
11
Sagittine D
462.60
5.2
2
6
85.22
7
Terretonin B
504.50
0.1
2
10
161.34
2
[(2S,3R,4S,5S,6R)-2-[[(1R,4aR,7R,8aR)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-phenylprop-2-enoate
514.60
5.5
3
7
105.45
8
[(1S,2R,3R,5R,7R,10S,11R,14R,15S)-15-[(2S,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-methoxyoxolan-3-yl]-3-hydroxy-2,6,6,10-tetramethyl-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] 3-methylbutanoate
604.90
6.6
3
7
105.45
8
(4aS,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-11-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxycarbonyloxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
662.80
5.5
5
10
162.98
5
(1R,5R,9S,13S)-13-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
804.90
-1
11
18
294.98
10
Amidinoproline
157.17
-0.4
3
3
90.41
2
7-Phenylhepta-2,4,6-triynyl acetate
222.24
2.8
0
2
26.3
5
Isosetoclavine
254.33
2.1
2
2
39.26
0
3beta,12-Dihydroxy-13-methyl-6,8,11,13-podocarpatetraene
272.40
4.2
2
2
40.46
0
Protoapigenone
286.24
0
3
6
107.97
1
3-[4-[4-(2-carboxyethyl)phenoxy]phenyl]propanoic Acid
314.30
3
2
5
83.83
8
(3S,4R,4aS,4bR,7R,10aS)-7-ethenyl-3,4-dihydroxy-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-9-one
318.40
3.6
2
3
57.53
1
1-Hydroxy-4,7-dimethoxy-1-(2-oxopropyl)phenanthren-2-one
326.30
2.3
1
5
72.83
4
methyl (4R,4aR,11bS)-4,7,11b-trimethyl-1,2,3,4a,5,6-hexahydronaphtho[2,1-f][1]benzofuran-4-carboxylate
326.40
5.6
0
3
39.44
2
(S)-[(2R,4S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
326.40
3.1
1
4
45.59
4
(8S,9S,10R,13S,14S,17S)-17-[(1R)-1,2-dihydroxyethyl]-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
330.50
3.1
2
3
57.53
2
blumiolide-B
332.40
1.6
2
4
66.76
2
1,3-dihydroxypropan-2-yl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
352.50
4.9
2
4
66.76
17
methyl (1S,15S,16S,18S,20S)-20-ethyl-15-hydroxy-17-oxa-3,13-diazahexacyclo[11.7.0.02,10.03,18.04,9.016,20]icosa-2(10),4,6,8-tetraene-18-carboxylate
368.40
1.9
1
5
63.93
3
4-[(2S)-2-hydroxy-2-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]ethoxy]furo[3,2-g]chromen-7-one
388.40
2.3
2
7
102.27
5
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