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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
(4Ar,5S,8aR)-3-methyl-8-methylidene-5-propan-2-yl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
218.33
3.4
0
1
17.07
1
guidongnin B
346.40
3.1
0
5
69.67
0
guidongnin C
362.40
1.8
1
6
89.9
0
guidongnin A
362.40
0.7
2
6
93.06
0
Caudoside
548.70
1.6
3
9
131.75
4
Quinovic acid
486.70
5.9
3
5
94.83
2
Card-20(22)-enolide, 3-[(6-deoxy-3-O-methyl-D-galactopyranosyl)oxy]-12,14-dihydroxy-11-oxo-, (3beta,5beta,12beta)-
564.70
0.1
4
10
151.98
4
Odoroside F
696.80
1
6
13
193.83
7
Neoline
437.60
-0.1
3
7
91.62
5
3beta,11-Dihydroxy-12-methoxyabieta-8,11,13-triene-7-one
346.50
4.1
2
4
66.76
2
(4R,4aS,6aS,6aS,6bR,7S,8aR,12aR,14aS,14bS)-7-hydroxy-6b-(hydroxymethyl)-4,4a,6a,8a,11,11,14a-heptamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
458.70
7.8
2
3
57.53
1
(4R,4aS,6R,6aS,6aS,6bS,8aR,12aR,14aS,14bS)-6-hydroxy-6b-(hydroxymethyl)-4,4a,6a,8a,11,11,14a-heptamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
458.70
7.1
2
3
57.53
1
[(E)-2-[(1R,7R,8S,11R,15S)-1-hydroxy-4,8,12,12-tetramethyl-3,13-dioxatetracyclo[6.6.2.02,6.011,15]hexadeca-2(6),4-dien-7-yl]ethenyl] 3-methylbut-2-enoate
414.50
4.3
1
5
68.9
4
[(E)-2-[(1R,7R,8S,11R,15S)-1-methoxy-4,8,12,12-tetramethyl-3,13-dioxatetracyclo[6.6.2.02,6.011,15]hexadeca-2(6),4-dien-7-yl]ethenyl] 3-methylbut-2-enoate
428.60
4.9
0
5
57.9
5
[(E)-2-[(4S,6S,7S,8S,11R,15S)-4-methoxy-4,8,12,12-tetramethyl-3,13-dioxatetracyclo[6.6.2.02,6.011,15]hexadec-1-en-7-yl]ethenyl] 3-methylbut-2-enoate
430.60
4.4
0
5
53.99
5
Melampomagnolid B
264.32
1.1
1
4
59.06
1
(4S,5R,6S)-5-hydroxy-6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-1(13)-ene-2,8-dione
277.36
0.3
1
3
57.61
0
4-[(E)-2-[(1R,3S,4aS,8aS)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2H-furan-5-one
316.40
4.1
1
3
46.53
2
(5R,7R,8R,9R,10R,13R,17S)-17-(furan-3-yl)-7,17-dihydroxy-4,4,8,10,13-pentamethyl-5,6,7,9,11,12-hexahydrocyclopenta[a]phenanthrene-3,16-dione
424.50
3.3
2
5
87.74
1
Licoagroaurone
338.40
4.5
3
5
86.99
3
Eleutherol
244.24
2.6
1
4
55.76
1
Capnoidine
367.40
2.6
0
7
66.46
1
CID 120699
450.60
0.8
4
6
153.42
2
24-Methylene-cholest-5-en-3beta,7beta,19-triol
430.70
6.3
3
3
60.69
6
[(3S,7R,8S,9S,10S,13R,14S,17R)-3-hydroxy-10-(hydroxymethyl)-13-methyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl] acetate
472.70
6.9
2
4
66.76
8
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