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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
Formoxanthone B
446.50
7.5
2
5
79.9
5
(2R,3R,4S,4aR,6aR,6bS,14aR,14bR)-2,3-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,14,14a-decahydropicene-4-carboxylic acid
452.60
6.2
3
4
77.76
1
3-Methoxybenzaldehyde
136.15
1.8
0
2
26.3
2
Marianine
470.70
7.1
2
3
57.53
5
2,3-Dimethoxy-5-methyl-6-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)cyclohexa-2,5-diene-1,4-dione
727.10
15.7
0
4
52.6
25
Chaetoglobosin U
528.60
3.6
3
5
111.79
2
Genameside D
550.50
-3.9
8
15
234.29
9
Oblongifolin B
602.80
10.3
3
6
111.9
10
[(1S,2R,3R,5R,7R,10S,11R,14R,15S)-15-[(2R,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-methoxyoxolan-3-yl]-3-hydroxy-2,6,6,10-tetramethyl-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] 3-methylbut-2-enoate
602.80
6.8
3
7
105.45
7
[(1S,2R,4aR,6aS,6aS,8aS,10R,12aS,13R,14aS,14bR)-10-hydroxy-1,2,4a,6a,9,9,12a,14a-octamethyl-12-oxo-1,2,3,4,5,6,6a,8,8a,10,11,13,14,14b-tetradecahydropicen-13-yl] 4-hydroxy-3-methoxybenzoate
606.80
8.2
2
6
93.06
4
3-[4-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-methoxyphenyl]-5-hydroxy-7-methoxychromen-4-one
608.50
-0.6
7
15
227.2
9
(E)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)hept-4-en-3-one
312.40
3.4
3
4
77.76
7
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[(1R,2S,3'S,4S,5'S,6R,7S,8R,9S,12S,13R,16S,18S,19S)-3',16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-methyloxane-3,4,5-triol
740.90
2
7
13
196.99
4
Gymnoside III
930.90
-2.1
11
23
356.81
22
(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
943.10
1.3
11
19
312.05
9
(2R,4aS)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1H-naphthalene
202.33
4.6
0
0
0
1
6,8-Dihydroxy-2,7-dimethylchromen-4-one
206.19
1.6
2
4
70.67
0
4-Methylcyclohexene
96.17
2.7
0
0
0
0
lappaceolide B
228.20
-1.6
1
6
82.06
1
3-(3-(3-Hydroxypiperidin-2-yl)-2-oxopropyl)quinazolin-4(3H)-one
301.34
0.1
2
5
84.22
4
10-Angeloylbutylphthalide
288.34
3.2
0
4
52.6
6
8-[(3,3-Dimethyloxiran-2-yl)methyl]-5-hydroxy-7-methoxy-2-methylchromen-4-one
290.31
2.7
1
5
72.2
3
(1R,10R,11R,15R)-4-hydroxy-6-methoxy-15-methyl-9,14,16-trioxatetracyclo[8.6.0.03,8.011,15]hexadeca-3,5,7-trien-13-one
292.28
1.5
1
6
74.22
1
(4S,4aS,4bS,5R,7R,9R,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-4,5,9-triol
320.50
2.9
3
3
60.69
1
(2R)-5-hydroxy-11-methyl-2-[(2R)-2-methyloxiran-2-yl]-1,2-dihydrofuro[2,3-c]acridin-6-one
323.30
3.3
1
5
63.99
1
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