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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
Norisocorydine
327.40
2.6
2
5
59.95
3
N-Nornuciferine
281.30
3
1
3
30.49
2
Norpluviine
273.33
0.9
2
4
52.93
1
3-Hydroxy-4,13-dimethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one
313.30
1.5
2
5
67.79
2
(1R,9S)-3-hydroxy-4,13-dimethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one
313.30
1.5
2
5
67.79
2
3-Hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-[[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one
536.50
0.7
6
12
184.6
9
(1S,2S,4R,9S,10R)-4-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
264.36
0.6
1
3
43.78
0
3-[(1S,2S,4aR,4bS,6aR,10aR,12aR)-1,4a,4b,6a,9,9-hexamethyl-2-prop-1-en-2-yl-3,4,5,6,7,8,10,10a,12,12a-decahydro-2H-chrysen-1-yl]propanoic acid
440.70
9.2
1
2
37.3
4
7-alpha-Obacunol
456.50
3.5
1
7
98.5
1
Sandaracopimaradienediol
304.50
4.8
2
2
40.46
2
(1S,9R,10S,16S)-14,16-dimethyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-5-one
274.40
1.7
1
2
32.34
0
2-[(2S)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-ol
218.33
3.5
1
1
20.23
1
3-epiocotillol II
460.70
7.2
2
3
49.69
2
Ocotillone
458.70
6.9
1
3
46.53
2
17alpha-Thevebioside
696.80
0.5
6
13
193.83
7
Odorobioside G
696.80
0.5
6
13
193.83
7
3-[(3S,5R,8R,9S,10S,13R,14S,17S)-14-hydroxy-3-[(2R,3R,4R,5R,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
696.80
0.5
6
13
193.83
7
(7E,9E,15E)-heptadeca-7,9,15-trien-11,13-diyn-4-one
240.34
4.1
0
1
17.07
7
Arthanitin
528.90
7
12
189.83
6
Olean-12-en-28-oicacid, 3-oxo-;3-Oxooleanolic acid;3-Ketooleanolic Acid
454.70
7.2
1
3
54.37
1
Oleanonic acid
454.70
7.2
1
3
54.37
1
(S)-Oleuropeic acid
184.23
1.2
2
3
57.53
2
Olivin
406.40
0.9
6
9
164.75
5
Ophiocarpine
355.40
2
1
6
60.39
2
Oplodiol
238.37
2.4
2
2
40.46
1
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