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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
4,6,6-Trimethyl-5,6-dihydropyridin-2(1H)-one
139.19
0.6
1
1
29.1
0
2-Methyl-1,2,3,4-tetrahydroisoquinoline
147.22
1.8
0
1
3.24
0
2-ethyl-3H-furan-2-carbaldehyde
126.15
1.1
0
2
26.3
2
Oct-1-EN-2-OL
128.21
3.3
1
1
20.23
5
Excoecarin F
404.90
2.6
3
6
104.06
6
(+)-(R)-tetrahydropersin
384.60
7.6
1
4
63.6
21
Vincamine
354.40
2.9
1
4
54.7
3
3-Methyl-heptadecan-2-one
268.50
7.8
0
1
17.07
14
(2S,3'S,4R)-4-ethenyl-3'-hydroxy-4,4',4',10-tetramethylspiro[3H-pyrano[3,2-c]chromene-2,2'-oxetane]-5-one
342.40
3.1
1
5
68.9
1
(3R,3aS,6R,6aS,10S,10aS)-10-hydroxy-3,6,9-trimethyl-3,3a,4,5,6,6a,7,10-octahydrobenzo[h][1]benzofuran-2-one
250.33
2.2
1
3
46.53
0
(3R,3aS,6R,6aS,10S,10aS)-10-hydroxy-3,6-dimethyl-9-methylidene-3a,4,5,6,6a,7,8,10-octahydro-3H-benzo[h][1]benzofuran-2-one
250.33
2.3
1
3
46.53
0
Arteannuin N
250.33
3.2
1
3
54.37
2
2,3,9-Trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-4,10-diol
354.40
3.1
2
5
72.03
3
(13aS)-2,3,9-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-4,10-diol
357.40
2.6
2
6
71.39
3
Baccatin VI
714.80
2.6
1
14
187.26
13
1-(3,3-Dimethyloxiran-2-yl)-3-ethenyl-5-(2-hydroxy-6-methylphenyl)-3-methylpentane-1,5-dione
316.40
3.5
1
4
66.9
7
Epishionol
428.70
10.3
1
1
20.23
3
(1S,4S,5R,9S,10R,13S,14S)-14-(acetyloxymethyl)-14-hydroxy-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
378.50
4
2
5
83.83
4
(6R,7R,10S,11R,14R,15S,20S)-7-ethenyl-6,10,15,19-tetramethyl-17-oxa-19-azapentacyclo[12.8.0.03,11.06,10.015,20]docosa-1,3-diene
381.60
5.9
0
2
12.47
1
(+)-Homomoenjodaramine
440.70
6
0
3
15.71
2
(2R,4aS,4bR,6R,7R,10aR)-6,7-dihydroxy-4b-methyl-2-(2-methylfuran-3-yl)-2,3,4,4a,5,6,7,8,10,10a-decahydrophenanthren-1-one
330.40
2.2
2
4
70.67
1
(1R,13S,16S,17R)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-triene-13,16,17-triol
305.32
0.1
3
6
82.39
0
2,6-Dimethyldecalin
166.30
5.1
0
0
0
0
(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
604.80
5.4
5
8
136.68
3
1,2,3-Trihydroxy-5-methoxy-9H-xanthen-9-one
274.22
2.4
3
6
100.13
1
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