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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
Humulol
222.37
3.8
1
1
20.23
0
4,4-Dimethyl-2-cyclopenten-1-one
110.15
1.4
0
1
17.07
0
5-[(R)-methylsulfinyl]pentanenitrile
145.23
-0.3
0
3
60.07
4
HN-saponin F
767.00
2.9
8
13
215.83
7
Medicoside E
929.10
1.3
11
18
294.98
10
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
929.10
1.3
11
18
294.98
10
10-[3,5-Dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
797.00
3.1
9
14
236.06
8
[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (9Z,12Z)-octadeca-9,12-dienoate
839.30
14.6
3
7
105.45
25
8-[(1S,2R)-2-hydroxy-1-methoxy-3-methylbut-3-enyl]-7-methoxychromen-2-one
290.31
2.2
1
5
68.9
5
7-hydroxy-8-[(E)-4-hydroxy-3-methylbut-2-enyl]chromen-2-one
246.26
2.2
2
4
70.67
3
2-Cyclohexen-1-one, 3,6,6-trimethyl-
138.21
1.7
0
1
17.07
0
(2S)-5-(diaminomethylideneamino)-2-(3-phenylprop-2-enoylamino)pentanoic acid
304.34
0.4
4
4
130.8
8
2-Isopropyl-5-methylanisole
164.24
3.8
0
1
9.23
2
8-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
556.50
4.5
7
11
198.12
3
5,3',4'-Trihydroxy-6,7,5'-trimethoxyflavone
360.30
2.6
3
8
118.59
4
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
903.10
1.2
10
18
276.14
9
Phaseoloidin
330.29
-1.2
6
9
156.91
5
2,5-Dimethoxy-9,10-dihydrophenanthrene-1,7-diol
272.29
3.1
2
4
58.92
2
4,4',8,8'-Tetramethoxy[1,1'-biphenanthrene]-2,2',7,7'-tetrol
538.50
7
4
8
117.84
5
CID 14104288
370.40
3.5
3
6
96.22
4
Epicatechin 3-glucoside
452.40
-1.2
8
11
189.53
4
(+)-Catechin 3-O-glucose
452.40
-1.2
8
11
189.53
4
(2R,3R,4R,5S,6R)-2-[[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
452.40
-1.2
8
11
189.53
4
Undec-1-en-5,7,9-triyne
142.20
3.2
0
0
0
4
2,3,4,6-Tetra-O-methyl-D-galactose
236.26
-1.3
1
6
74.22
9
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