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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
5-(Hydroxymethyl)-1-methylphenanthrene-2,7-diol
254.28
3.2
3
3
60.69
1
7-Methoxy-6-methylpyren-2-ol
262.30
5
1
2
29.46
1
Rubralide A
224.17
0.6
2
6
93.06
2
Rubralide C
210.18
1
2
5
75.99
1
Methyl 2,4-diformyl-3,5-dihydroxybenzoate
224.17
1.1
2
6
100.9
4
[(3aS,4S,9S,9aR)-7-acetyloxy-9-(4-acetyloxy-3-methoxyphenyl)-6-methoxy-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-4-yl] acetate
484.50
2.7
0
9
106.59
9
[4-[[(3S,4S)-3-acetyloxy-4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]-2,6-dimethoxyphenyl] acetate
502.50
3.5
0
10
115.82
12
[4-[[(3S,4S)-4-acetyloxy-4-[(4-acetyloxy-3,5-dimethoxyphenyl)methyl]-5-oxooxolan-3-yl]methyl]-2-methoxyphenyl] acetate
530.50
3.3
0
11
132.89
13
(3S,4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-2-one
418.40
2.8
2
8
103.68
8
[(2S,3R,4S,5R,6R)-2-[[(1R,2S,3R,5R,6R,8S)-2-(benzoyloxymethyl)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3,4,5-trihydroxybenzoate
632.60
0.1
7
15
231.13
10
[(2S,3R,4R,5S)-3,4-dihydroxy-5-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-3-yl]oxyoxolan-2-yl]methyl acetate
606.50
0.1
7
15
235.04
8
3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
580.50
-0.3
9
15
249.2
6
[(2S,3R,4R,5S)-5-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-3-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl acetate
622.50
-0.3
8
16
255.27
8
4-Furo[3,4-g][1,3]benzodioxol-6-yl-3-methoxyphenol
284.26
3.3
1
5
61.06
2
(2S)-8-[[(2S)-7-hydroxy-5-methoxy-2-phenyl-3,4-dihydro-2H-chromen-8-yl]methyl]-5-methoxy-2-phenyl-3,4-dihydro-2H-chromen-7-ol
524.60
6.9
2
6
77.38
6
(2S)-6-[[(2S)-7-hydroxy-5-methoxy-2-phenyl-3,4-dihydro-2H-chromen-8-yl]methyl]-5-methoxy-2-phenyl-3,4-dihydro-2H-chromen-7-ol
524.60
6.9
2
6
77.38
6
(2S)-8-[[(2S)-7-hydroxy-5-methoxy-2-phenyl-3,4-dihydro-2H-chromen-8-yl]methyl]-5-methoxy-6-methyl-2-phenyl-3,4-dihydro-2H-chromen-7-ol
538.60
7.2
2
6
77.38
6
octyl 6-O-alpha-l-arabinopyranosyl-beta-d-glucopyranoside
424.50
-0.7
6
10
158.3
11
(2S)-5,7,2',4'-Tetrahydroxy-8-prenyl-5'-(1,1-dimethylallyl)flavanone
424.50
5.9
4
6
107.22
5
(-)-Praeruptorin B
426.50
4.3
0
7
92.04
6
(3S,8S,9R,10S,13S,14R,17S)-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
426.70
9.2
1
1
20.23
4
3,5,7-trihydroxy-2-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one
432.40
0.6
6
10
170.05
3
(5R,5aR,8aR)-4-methoxy-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
428.40
3.3
0
8
81.68
5
1,3-dihydroxy-7-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]xanthen-9-one
396.40
4.6
3
6
100.13
6
(1R,2S,5R,6S,8S)-8-(2-hydroxypropan-2-yl)-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undecan-5-ol
254.36
1.3
2
3
49.69
1
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