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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
6-Methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-4-one
205.21
0.8
0
4
38.77
0
Lasiodonin
364.40
-0.1
4
6
107.22
0
CID 12305580
406.50
0.7
3
7
113.29
2
2-[(1R,2R,3E)-3-(bromomethylidene)-1,2-dimethylcyclopentyl]-5-methylphenol
295.21
4.5
1
1
20.23
1
CID 12305611
342.40
2.7
2
4
58.92
2
[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate
568.50
1.8
7
13
216.58
7
15-cis-beta-Carotene
536.90
13.5
0
0
0
10
1,3,3-trimethyl-2-[(1Z,3Z,5Z,7Z,9Z,11Z,13Z,15Z,17Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
536.90
13.5
0
0
0
10
Isocarthamin
450.40
-0.3
7
11
186.37
4
(1S,6R,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene
204.35
4.9
0
0
0
0
Sisalagenin
430.60
4.8
1
4
55.76
0
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
430.60
4.8
1
4
55.76
0
(S,Z)-2-Isopropyl-5-methyl-9-methylenecyclodec-5-en-1-one
220.35
3.4
0
1
17.07
1
Preisocalamendiol
220.35
3.4
0
1
17.07
1
Pretetramid
351.30
4.4
6
6
144.24
1
Hypargenin C
314.40
5
1
3
54.37
1
Preskimmianine
303.35
2.9
1
4
60.55
5
Longispinogenin
458.70
7
3
3
60.69
1
1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
480.60
4.9
1
6
54.4
6
Alnusin
300.26
2.8
3
6
100.13
2
Aloin A
418.40
-0.1
7
9
167.91
3
(10R)-1,8-Dihydroxy-3-(hydroxymethyl)-10-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
418.40
-0.1
7
9
167.91
3
9,10-Dihydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
472.70
7.2
3
4
77.76
2
(1S,11R,18S)-4,5,15,16-tetramethoxy-10-methyl-19-oxa-10-azatetracyclo[9.8.0.02,7.012,17]nonadeca-2,4,6,12(17),13,15-hexaen-18-ol
401.50
2.1
1
7
69.62
4
(2S,3R)-3,5-dihydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one
286.28
2.5
2
5
75.99
2
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