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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)-3-[4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)phenyl]propane-1,2-diol
300.30
2.9
4
4
80.92
6
(4S)-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
208.30
1.6
1
2
37.3
2
2-[(2S)-1-hydroxypropan-2-yl]-5-methylphenol
166.22
2.1
2
2
40.46
2
[(R)-[2-(hydroxymethyl)-3,4-dimethoxyphenyl]-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl] acetate
459.50
2.1
1
9
95.92
8
(2S)-2-hydroxy-2-methyl-N-[(2S)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]butanamide
316.40
2.8
2
3
69.64
5
Araliadiol
232.32
3.3
2
2
40.46
7
(2S)-2-[3,4-dihydroxy-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
466.40
-0.1
8
12
206.6
4
(4S)-4-[(E)-1-(3,4-dimethoxyphenyl)prop-1-en-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one
370.40
4
0
5
53.99
8
(10S)-10-(hydroxymethyl)-14-methoxy-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-5,10,15-triol
318.32
1.3
4
6
99.38
2
(2S)-5,7-dihydroxy-2-[(2R)-5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]-2,3-dihydrochromen-4-one
422.50
5.3
3
6
96.22
4
[(9R,10R)-10-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-3-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] (Z)-2-methylbut-2-enoate
500.60
5
1
8
92.68
8
Securinol A
235.28
0.2
1
4
49.77
0
(2R)-5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
438.50
6.1
3
6
96.22
7
(2R)-5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
438.50
6.1
3
6
96.22
7
(1S,14R)-11,14-dihydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one
426.40
3.2
2
8
103.68
2
(2E)-2-[(3,4-dimethoxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
342.30
3.5
0
6
63.22
5
3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-8-(3-methylbut-2-enyl)chromen-4-one
438.50
5.1
5
7
131.36
6
3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-6-(3-methylbut-2-enyl)chromen-4-one
438.50
5.1
5
7
131.36
6
(2R)-2-(3,5-dihydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
302.28
2.4
3
6
96.22
2
7-O-Methyleucomol
330.30
2.7
2
6
85.22
4
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]chromen-4-one
422.50
6.3
4
6
111.13
6
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]chromen-4-one
422.50
6.3
4
6
111.13
6
Dehydroformouregine
337.40
3.7
0
4
48
3
5,7-dihydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-3-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
422.50
5.5
4
6
111.13
6
5,7-dihydroxy-8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-3-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
422.50
5.5
4
6
111.13
6
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