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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
[(4S)-3,3,6-trimethylhepta-1,5-dien-4-yl] acetate
196.29
3.6
0
2
26.3
5
(-)-Amijiol
304.50
3.1
2
2
40.46
1
3,6-Bis(4-hydroxy-3-methoxyphenyl)-1,3,4,6-tetrahydrofuro[3,4-c]furan-3a,6a-diol
390.40
0.2
4
8
117.84
4
[(1R,2Z,4R,6S,9R,10R)-3-methyl-7,11-dimethylidene-12-oxo-13-oxatricyclo[8.3.0.04,6]tridec-2-en-9-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
360.40
0.7
2
6
93.06
5
[4,5,11,12-Tetrahydroxy-6-(hydroxymethyl)-13,31-dimethyl-27-oxo-17-pentyl-30-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,7,9,14,16,28,32-heptaoxatetracyclo[27.3.1.03,8.010,15]tritriacontan-33-yl] 2-methylpropanoate
925.10
2.7
8
20
288.28
10
3-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
756.70
-2.5
12
20
328.35
9
Lawsaritol
414.70
9.4
1
1
20.23
6
[(2R)-2-[(1aS,1bS,3R,3aR,5S,7bR,9R,9aR)-3,9-diacetyloxy-1a-(acetyloxymethyl)-5,7b-dimethyl-1,1b,2,3,3a,4,6,8,9,9a-decahydrocyclopropa[a]phenanthren-5-yl]-2-bromoethyl] acetate
583.50
3.9
0
8
105.2
11
[(2R)-2-[(1aS,1bS,3R,3aR,5S,7bR,9R,9aR)-9-acetyloxy-1a-(acetyloxymethyl)-3-hydroxy-5,7b-dimethyl-1,1b,2,3,3a,4,6,8,9,9a-decahydrocyclopropa[a]phenanthren-5-yl]-2-bromoethyl] acetate
541.50
3.3
1
7
99.13
9
(1aS,1bR,3R,3aR,5S,7bR,9aR)-5-[(1R)-1-bromo-2-hydroxyethyl]-1a,5,7b-trimethyl-1,1b,2,3,3a,4,6,8,9,9a-decahydrocyclopropa[a]phenanthren-3-ol
383.40
4.3
2
2
40.46
2
(1R,2R,3S,4aS,8aS)-1-[2-(furan-3-yl)ethyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,3-diol
320.50
4.4
2
3
53.6
3
Licoricesaponin G2
838.90
2.5
9
17
287.27
8
Licoricesaponin J2
824.90
3.6
9
16
270.2
8
Murrayamine-B
361.50
6.6
1
2
34.25
4
O-Methylmurrayamine A
293.40
4.6
1
2
34.25
1
10-(9-hydroxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-10-yl)-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol
556.60
8.3
4
4
90.5
1
10-(9-hydroxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-yl)-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol
556.60
8.3
4
4
90.5
1
2,4-Dihydroxy-6,7-dimethoxy-2H-1,4-benzoxazin-3(4H)-one
241.20
0
2
6
88.46
2
(3E)-4-methyl-1,3-nonadiene
138.25
4.8
0
0
0
5
beta-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-5-S-methyl-5-thio-
297.34
-0.3
3
8
144.61
3
2,3-Dihydroxypropyl hexadecanoate
330.50
6.3
2
4
66.76
18
Hexadecyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
418.60
9.6
1
4
55.76
19
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, octadecyl ester
446.70
10.7
1
4
55.76
21
Icosyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
474.70
11.8
1
4
55.76
23
Bicyclo[3.1.0]hex-3-EN-2-OL
96.13
0.4
1
1
20.23
0
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