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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
Apremilast
460.50
1.8
1
7
127.46
8
(3R)-6-[(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-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one
488.40
-1.5
7
13
204.83
6
(1R,2S,3R,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide
505.60
2.8
2
7
97.69
6
Ferrugicadinol
506.80
9.5
2
2
40.46
4
[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl benzoate
568.50
2
7
13
216.58
7
Formosadimer A
598.90
12
1
3
38.69
5
[(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromen-6-yl]oxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 4-methoxybenzoate
622.60
0.2
6
15
220.13
10
1,3-Dimethylcyclohexane
112.21
3.8
0
0
0
0
bis[(4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl] (1S,2S,3S,4R)-2-[(E)-5-[[(4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]oxy]-3-methyl-5-oxopent-3-enyl]-4-(4-hydroxy-3-methoxyphenyl)-1-methylcyclobutane-1,3-dicarboxylate
888.20
9.8
1
11
118.08
14
(1S,4R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-5-ene
152.23
1.9
0
1
9.23
0
(-)-Elema-1,3,11(13)-trien-12-ol
220.35
4.9
1
1
20.23
4
(S)-(4-methoxy-1,3-benzodioxol-5-yl)-phenylmethanol
258.27
2.5
1
4
47.92
3
(1S,2S,4aR,4bS,7S,8aS,10aS)-7-ethenyl-4b,7,10a-trimethylspiro[2,3,4,4a,5,6,8,8a,9,10-decahydrophenanthrene-1,2'-oxirane]-2-ol
304.50
4.9
1
2
32.76
1
Helioscopinolide E
314.40
2.9
0
3
43.37
0
Przewalskin C
330.50
4.6
2
3
49.69
2
Sugikurojin F
330.50
4.3
0
3
43.37
2
N-[(2E,6E,11Z)-3,7,11,15-tetramethyl-13-oxohexadeca-2,6,11-trienyl]formamide
333.50
5.7
1
2
46.17
12
3',3'-Dimethylpyrano[3',4']2,4,2'-Trihydroxychalcone
338.40
4.1
3
5
86.99
3
5,6,9-Trihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
348.40
3.6
4
5
97.99
2
1-Propanone, 1-[2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-2-methyl-
358.34
0.1
6
9
156.91
5
(1S,2R,3R,9S,10S)-1,10-dihydroxy-12-methyl-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.13,6]pentadeca-6(15),11-diene-5,13-dione
360.40
2.3
2
6
93.06
2
3-Methylcyclohexanone
112.17
1.4
0
1
17.07
0
(E)-4-[(3R,4S)-4-hydroxy-2,6,6-trimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexen-1-yl]but-3-en-2-one
386.40
-1.1
5
8
136.68
5
Bilagrewin
402.40
2
2
8
103.68
7
Flueggenine A
406.50
0.6
0
6
59.08
1
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