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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
2-(E)-O-feruloyl-D-galactaric acid
386.31
-0.8
6
11
191.05
10
(4bS)-4-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthren-3-one
298.40
4.9
1
2
37.3
1
Manwuweizic acid
470.70
7.7
2
4
74.6
9
Anwuweizicacid
456.70
7.6
2
3
57.53
5
4-Hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
234.29
2.2
2
3
57.53
2
2-[3-ethenyl-5-methoxycarbonyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]acetic acid
404.40
-1.6
5
11
172.21
8
Secoxyloganin methyl ester
418.40
-1.2
4
11
161.21
9
(10,16-Dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-3'-yl) acetate
487.70
3.6
3
6
88.02
2
4-butyl-3H-2-benzofuran-1-one
190.24
3.2
0
2
26.3
3
(4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,4,5,6,6a,8,9,10,12,12a,13,14,14b-tetradecahydropicene-3,7-dione
440.70
8.1
0
2
34.14
0
Campanuline
426.70
9.7
0
1
9.23
0
2-(1,8-Dimethylspiro[4.5]dec-8-en-4-yl)propan-2-ol
222.37
3.6
1
1
20.23
1
Italicene ether
220.35
3.3
0
1
9.23
0
2-(2,6-Dihydroxyphenyl)-5,6,7,8-tetrahydroxychromen-4-one
318.23
1.6
6
8
151.59
1
(4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
504.70
4.6
5
6
118.22
3
3-Hydroxy-p-menth-1-en-6-one
168.23
1.4
1
2
37.3
1
6-(7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-2-yl)-4a,9-dihydroxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
608.70
2.6
2
9
100.93
3
Somniferine
608.70
2.6
2
9
100.93
3
[7,16a(2)-Bimorphinan]-6-one, 6a(2),7,7a(2),8,8a(2),14a(2)-hexadehydro-4,5:4a(2),5a(2)-diepoxy-14-hydroxy-3,3a(2),6a(2)-trimethoxy-17,17a(2)-dimethyl-, (5I+/-)-(5a(2)I+/-,16a(2)S)-
622.70
2.9
1
9
89.93
4
O-Methylsomniferine
622.70
2.9
1
9
89.93
4
(2E,7E)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-2,7-dien-1-one
218.33
3.8
0
1
17.07
0
[(1S,2S,5R,7R,8S,9S,10S,11R)-7-acetyloxy-9-hydroxy-12,12-dimethyl-6-methylidene-15-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl] acetate
432.50
1.6
1
7
99.13
4
Odonicin
430.50
1.8
1
7
99.13
4
11-Ethyl-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.01,14.02,12.04,13.05,10.08,13]icosane-16,19-diol
357.50
1.7
2
4
52.93
1
7-Methoxy-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carbaldehyde
230.26
1.3
1
3
43.26
1
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