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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
2H-1-Benzopyran-2-one, 7-(((1R,4aR,6R,8aS)-decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)methoxy)-6,8-dimethoxy-
442.50
4.9
1
6
78.13
5
(S)-4,4,7a-Trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one
180.24
2.2
0
2
26.3
0
Flavesone
252.31
2.7
0
4
68.28
2
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]chromen-4-one
578.50
-1.4
9
14
239.97
5
(1R,4R)-1,4-dimethyl-7-propan-2-ylidene-1,2,3,4,5,8-hexahydroazulen-6-one
218.33
3.1
0
1
17.07
0
Rosmadial
344.40
3.3
1
5
80.67
3
2-Vinyl-4,5-dimethylfuran
122.16
2.6
0
1
13.14
1
2(1H)-Quinolinone, 6-hydroxy-4-methoxy-1-methyl-
205.21
0.9
1
3
51.46
1
1-Ethyl-1-methyl-1a,3a,6,7-tetrahydrocyclopropa[c][2]benzofuran-3-one
192.25
2.6
0
2
26.3
1
3-Furanmethanol, tetrahydro-5-hydroxy-alpha-(4-hydroxy-3-methoxyphenyl)-4-((4-hydroxy-3-methoxyphenyl)methyl)-
376.40
1.9
4
7
108.61
6
6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
580.50
-1.7
10
15
260.2
5
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethyl-, (S)-
330.30
3.1
3
6
96.22
2
Tanghinoside
915.00
-2
8
20
291.58
12
Acetylthevetin B
901.00
-1.1
8
19
279.05
12
Senbusine A
423.50
-0.6
4
7
102.62
4
2-Ethylbenzimidazole
146.19
2.1
1
1
28.68
1
1(2H)-Anthracenone, 3,4-dihydro-2,3,8,9-tetrahydroxy-6-methoxy-3,7-dimethyl-
318.32
2.1
4
6
107.22
1
Heliocoromandaline
285.38
1.4
2
5
70
6
Heliocurassavicine
285.38
1.4
2
5
70
6
Heliocurassavinine
285.38
1.4
2
5
70
6
5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-ol, 6,7,7a,8-tetrahydro-9,10-dimethoxy-7-methyl-, (7aS,8R)-
355.40
2.1
1
6
60.39
2
L-Qui(a1-4)D-Fuc(b1-3)[coumaroyl(-4)]Man(a)-O-EtPh(4-OH)
738.70
-0.9
9
17
263.75
13
5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-ol, 6,7,7a,8-tetrahydro-9-methoxy-7-methyl-, (7aS,8R)-
325.40
2.2
1
5
51.16
1
4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-, (S)-
325.40
3.4
0
4
30.93
3
9(10H)-Anthracenone, 10-beta-D-glucopyranosyl-1,2,8-trihydroxy-6-(hydroxymethyl)-, (10R)-
434.40
-0.5
8
10
188.14
3
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