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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
Isohelianol
428.70
9.7
1
1
20.23
7
[(4S,4aS,5R,6S,8aR,9aR)-3,4a,5-trimethyl-4-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-6-yl] (Z)-2-methylbut-2-enoate
430.50
4.6
0
6
78.9
6
Isoschisandrin
432.50
4
1
7
75.61
6
2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one
434.30
-0.2
7
11
190.28
3
(3S,4aR,6aS,6bS,8aS,11R,12aR,14bS)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-ol
440.70
7
2
2
40.46
1
(3S,3aS,7S,8S,8aS)-3-(2-hydroxypropan-2-yl)-8a-methyl-8-[(E)-2-(3-methylbut-2-enoyloxy)ethenyl]-6-oxo-7-(2-oxopropyl)-1,2,3,3a,7,8-hexahydroazulene-5-carboxylic acid
446.50
3.6
2
7
117.97
8
Cycloartomunin
448.50
5.2
2
7
98.36
2
Sinensin
450.40
0
7
11
186.37
4
(2R)-2,6-dihydroxy-2-[(4-hydroxyphenyl)methyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one
450.40
-0.2
7
11
186.37
5
(3S,7R,11S,15R)-3,11-bis(2-amino-4,5-dihydro-1H-imidazol-5-yl)-7,15-dimethyl-1,9-dioxacyclohexadecane-2,10-dione
450.60
0.8
4
6
153.42
2
Cinchonain Ib
452.40
2.2
6
9
156.91
2
Suberic acid
174.19
1
2
4
74.6
7
3-O-MethylduchesideA
462.40
0
4
12
178.26
4
Valerosidate
462.50
-1.7
6
11
175.37
8
CID 10457053
462.50
1.2
1
9
124.8
6
Garciniaxanthone E
464.50
7.8
4
6
111.13
7
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
474.40
-2.4
8
13
215.83
8
Caesalamin C
474.50
2.9
1
8
112.27
6
5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
476.40
1.2
5
11
168.28
6
Kanokoside A
476.50
-2.7
6
12
187.9
9
(2S)-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
476.50
1.6
5
10
155.14
5
(3S,3aR,6R,6aR)-6-methoxy-3,6-bis(3,4,5-trimethoxyphenyl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan
476.50
2.7
0
9
83.07
9
marchantin A trimethyl ether
482.60
7.4
0
5
46.15
3
Tridecanedioic acid
244.33
3.7
2
4
74.6
12
N-Tigloylbuxahyrcanine
484.80
6.1
2
3
52.57
4
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