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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
broussonin E
288.34
3.9
2
4
58.92
6
Okanin 3'-glucoside
450.40
0.7
8
11
197.37
6
(E)-3-(3,4-dihydroxyphenyl)-1-[2,4-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
450.40
0.7
8
11
197.37
6
(E)-3-(3,4-dihydroxyphenyl)-1-[2,3-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]prop-2-en-1-one
612.50
-1.5
11
16
276.52
9
[(2R,3S,4S,5R,6S)-6-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
492.40
0.7
7
12
203.44
8
[3-acetyloxy-5-[(Z)-pentadec-8-enyl]phenyl] acetate
402.60
8.3
0
4
52.6
17
Triacontyl p-coumarate
585.00
17.2
1
3
46.53
32
Abrusin 2''-O-beta-apiofuranoside
608.50
-0.7
8
15
238.2
8
6-exo-Vinyl-5-endo-norbornenol
136.19
1.3
1
1
20.23
1
[(Z)-3-(acetyloxymethyl)-4-(1,3-benzodioxol-5-yl)-2-[(3,4-dimethoxyphenyl)methyl]but-3-enyl] acetate
456.50
4.2
0
8
89.52
12
6-Formylumbelliferone
190.15
1.6
1
4
67.51
1
7-Methoxy-8-(3-oxobutyl)chromen-2-one
246.26
1.8
0
4
56.51
4
(9R,10R)-9,10-dihydroxy-5-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one
292.28
0.8
2
6
89.13
1
trans-Grandmarin isovalerate
376.40
2.6
1
7
95.2
5
Kinocoumarin
380.50
5.9
1
4
59.67
4
Gomisin S
418.50
3.8
2
7
86.61
5
1-(2,3,16-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl 2-methylprop-2-enoate
420.60
4.6
3
5
86.99
4
5Z,9Z,19E-hexacosatrienoic acid
390.60
9.7
1
2
37.3
21
3-(3-Carboxy-6,7-dihydroxynaphthalen-1-yl)-2-oxo-2H-pyran-6-carboxylic acid
342.26
2.2
4
8
145.27
3
(22R)-14,20,22-Trihydroxy-1-oxoergosta-2,5,24-triene-18,26-dioic acid 18,20
466.60
3
1
6
89.9
1
Withaphysalin A
466.60
3
1
6
89.9
1
[(5R,6R,8R,9S,10R,13R,14R,15S)-17-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5,6,14-trihydroxy-10,13-dimethyl-1-oxo-4,6,7,8,9,11,12,15-octahydrocyclopenta[a]phenanthren-15-yl] acetate
528.60
1.9
3
8
130.36
4
Kusunokinol
388.50
3.6
1
6
66.38
8
(2S,3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-ol
388.50
3.6
1
6
66.38
8
14-Hydroxygelsenicine
342.40
0.3
1
5
71.36
2
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