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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
(2R,3aS,9aR)-2-(2-hydroxypropan-2-yl)-9a-(3-methylbut-2-enyl)-3,3a-dihydro-2H-benzo[f][1]benzofuran-4,9-dione
328.40
3
1
4
63.6
3
sphaeropsidin C
332.40
3.7
2
4
74.6
2
Ascaridole
168.23
2.3
0
2
18.46
1
(2R,3R,7Z,9S)-5-oxo-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.13,6]pentadeca-1(13),6(15),7,11-tetraene-12-carboxylic acid
340.40
4.4
1
5
76.74
3
3-hydroxy-4,5,6-trimethoxyspiro[1,3-dihydroindole-2,3'-2H-isoindole]-1'-one
342.30
1.2
3
6
89.05
3
3-(4-Hydroxyphenyl)-5-methoxy-8,8-dimethylpyrano[2,3-h]chromen-4-one
350.40
3.7
1
5
68.9
2
(1S,4aS,6aS,8R,10aS,10bR)-8-ethenyl-4,4,6a,8,10b-pentamethyl-3-oxo-4a,5,6,9,10,10a-hexahydro-1H-pyrano[3,4-f]chromene-1-carboxylic acid
350.40
3.5
1
5
72.83
2
2-[(1R,4S,5S,6S,8R,12S)-5-(carboxymethyl)-12-hydroxy-5,12-dimethyl-4-tricyclo[6.2.2.01,6]dodec-9-enyl]-2-methylpropanoic acid
350.40
3
3
5
94.83
4
6'-desmethylcandidusin B
354.30
3.5
5
7
123.52
2
Ficuisoflavone
354.40
3
3
6
100.13
1
1,8-Dihydroxy-3-(3-hydroxymethyl-4-hydroxybut-2-enyloxy)-6-methylxanthone
358.30
2.1
4
7
120.36
5
[(1S,9S,10R,13S,14S)-14-hydroxy-5,5,9-trimethyl-6-oxo-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate
362.50
3.6
1
4
63.6
3
Benzoic acid, 2-hydroxy-6-pentadecyl-, methyl ester
362.50
9.8
1
3
46.53
16
Glycyrrhiza isoflavone B
366.40
3.4
2
6
89.13
2
Glycyrrhizaisoflavone A
370.40
2.7
4
7
120.36
1
2,3,10-Trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-9-ol;chloride
373.80
1
5
51.8
3
Palmatrubine
338.40
3.4
1
4
51.8
3
2-(3,4-Dihydroxyphenyl)-5-hydroxy-3-methoxy-8,8-dimethyl-4h,8h-benzo[1,2-b:3,4-b']dipyran-4-one
382.40
3.8
3
7
109.36
2
(1S,2R,4R)-2-bromo-1-methyl-4-[3-[(1S,2R,3S,5S)-5-methyl-3-prop-1-en-2-yl-6-oxabicyclo[3.1.1]heptan-2-yl]prop-1-en-2-yl]cyclohexan-1-ol
383.40
5.1
1
2
29.46
4
2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone
388.40
2.9
1
8
96.59
6
(1R,2R,4S,7S,8S,11R,12R,14S,17R,18S)-1-hydroxy-2,7,11,14-tetramethyl-17-propan-2-yl-3-oxapentacyclo[10.7.0.02,4.04,8.014,18]nonadecan-16-one
388.60
4.7
1
3
49.83
1
8-Epiloganin
390.40
-1.4
5
10
155.14
5
Edulimide
392.50
3.5
1
3
66.48
10
[(3aS,5R,6R,6aS,9R,9aS,9bS)-6a-hydroperoxy-6,9-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-5-yl] (Z)-2-methylbut-2-enoate
394.40
1.3
3
8
122.52
4
[(4S,12S,15R,16R)-14,14-dimethyl-6-oxo-4-phenyl-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),8-trien-15-yl] acetate
394.40
3.1
0
6
71.06
3
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