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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
(3S,5S,8S,9S,10R,13S,14S,17R)-17-[(1S)-1-[(2R,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
429.70
6.2
1
3
40.54
2
(5R,6S,8R,8aR)-5-hydroxy-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4,6,7,8,8a-hexahydroazulen-2-one
430.50
-1.6
6
9
156.91
4
2,3,5,6-Tetramethylphenol
150.22
3
1
1
20.23
0
Regeol A
440.60
6.6
3
4
77.76
0
1,2,3,5-Tetramethylbenzene
134.22
4
0
0
0
0
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-hydroxy-4-(3-oxobutyl)phenoxy]oxan-3-yl] 4-hydroxybenzoate
462.40
1.2
5
10
162.98
9
[(E)-2-[(1S,2S,7S)-2-[(E)-4-hydroperoxy-4-methylpent-2-enyl]-5-(methoxymethyl)-2-methyl-6-oxo-7-(2-oxopropyl)cyclohept-4-en-1-yl]ethenyl] 3-methylbut-2-enoate
462.60
3
1
7
99.13
12
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-yloxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
468.50
0.9
6
10
166.14
7
Methyl oleanonate
468.70
7.5
0
3
43.37
2
[(1S,5R)-5-[(E)-6-[(4aR,8aR)-2,4a,7,7-tetramethyl-3,4,5,6,8,8a-hexahydronaphthalen-1-yl]-3-methylhex-3-enyl]-4,6,6-trimethylcyclohex-3-en-1-yl] acetate
468.80
9.1
0
2
26.3
8
(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R,3S,4R)-1,3,4-trihydroxy-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
472.70
6
3
4
77.76
5
(4S,12R,14S,16S)-4-(4-hydroxyphenyl)-14-[2-(4-hydroxyphenyl)ethyl]-8-methoxy-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1,7,9-trien-6-one
474.50
4.5
2
7
94.45
5
(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R,4R,5R)-5-hydroperoxy-4-hydroxy-6-methylhept-6-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
474.70
7.7
3
4
69.92
6
Cefotaxime Sodium
477.50
2
12
229.88
8
3,4,5-Trimethylphenol
136.19
3
1
1
20.23
0
2,3-Dehydrosilybin A
480.40
3.1
5
10
159.05
4
[(1R,2R,3R,5S,8R,9R,10R)-2,9,10-trihydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (E)-3-phenylprop-2-enoate
480.60
2.8
3
6
104.06
4
(2S,4S,7R,8S,9S,12R,13R,16R,19S,20R)-2,9,13,19-tetramethyl-7-(4-methyl-2-oxopent-3-en-1-yl)-5,17-dioxahexacyclo[10.10.0.0^{2,9}.0^{4,8}.0^{13,20}.0^{16,19}]docos-1(22)-ene-6,18-dione
480.60
5.5
0
5
69.67
3
(2Z)-2-[(1S,3S,5R,6S,10R)-1,6-dihydroxy-10-(3-hydroxypropyl)-6-methyl-3-[(1E,3E,5E,7E)-2,6,10-trimethylundeca-1,3,5,7,9-pentaenyl]-2-oxaspiro[4.5]decan-9-ylidene]propanal
484.70
5.2
3
5
86.99
9
Alboctalol
488.50
4.3
8
8
161.84
3
6'-O-beta-D-Apiofuranosylsweroside
490.50
-2.7
6
13
193.83
7
cypellocarpin A
498.50
0
7
12
203.44
8
(1S,4R,6S)-1,6-dimethyl-4-[(1S)-1-[(5R,6S,7R,8S,9S,10R,12S,13R,14S,17R)-5,6,7,12-tetrahydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-3,7-dioxabicyclo[4.1.0]heptan-2-one
504.60
1.7
4
8
136.82
2
1-Decanol, 1-(decyloxy)-
314.50
8.6
1
2
29.46
18
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
512.50
-0.5
8
13
215.83
10
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