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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
Aglamide D
231.29
2.3
0
2
29.54
3
[(10S,11R,12R,13S,14R)-14-(3,4-dimethoxyphenyl)-12-(dimethylcarbamoyl)-10-hydroxy-8-methoxy-13-phenyl-4,6,15-trioxatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8-trien-11-yl] acetate
591.60
2.7
1
10
122.22
8
Edulirin A
644.70
3.9
3
9
136.02
8
19,20-dehydroedulirin A
642.70
4.1
3
9
136.02
7
Aglamide B
332.40
1.7
1
4
85.69
5
Kutzneride 5
840.70
-1.1
8
14
265.27
7
Kutzneride 7
840.70
-1.1
8
14
265.27
7
Kutzneride 9
852.70
1.2
7
14
265.6
7
Ashwagandhanolide
975.30
7.5
6
13
233.42
8
Taxchinin N
590.60
1.7
0
12
157.8
10
[(10R,11S,13R,14R)-8-formyl-14-hydroxy-2-methoxy-10-methyl-4,12-dioxatetracyclo[7.5.0.03,7.011,13]tetradeca-1(9),2,5,7-tetraen-6-yl]methyl acetate
346.30
0.7
1
7
98.5
5
[(2R,3R,4R,5R,6S)-6-[2-[(2R,4aR,8aS)-8a-methyl-8-methylidene-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl]propan-2-yloxy]-3,4-diacetyloxy-5-hydroxyoxan-2-yl]methyl acetate
510.60
3.5
1
9
117.59
10
Angulifolide
328.30
2.5
0
6
74.97
4
[(2R,3R,4R,5R,6S)-3,4-diacetyloxy-5-hydroxy-6-[2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yloxy]oxan-2-yl]methyl acetate
442.50
1.4
1
9
117.59
10
(2R,3S,4S,5S)-2-[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
597.50
11
15
270.75
6
3-Isothiocyanato-4-methoxy-1H-indole
204.25
3.4
1
3
69.47
2
3-isothiocyanato-4-methoxy-1H-indol-5-ol
220.25
3.1
2
4
89.7
2
Sweroside
358.34
-0.9
4
9
134.91
4
5,7-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
464.40
0.5
8
12
210.51
3
21-Hydroxypregna-4,6-diene-3,12,20-trione
342.40
1.5
1
4
71.44
2
(1R,2S,4S,6R,7R,8R,10S,11R)-6-acetyl-8-hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadeca-15,17-dien-14-one
342.40
1.5
1
4
66.9
1
21-Deoxyneridienone B
328.40
2.4
1
3
54.37
1
nobilin D
320.30
2.2
3
6
88.38
6
Nobilone
242.23
2.2
2
4
66.76
1
nobilin E
544.60
6.2
3
8
106.84
9
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