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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
2-(Hydroxymethyl)-5-methoxy-8,8-dimethylpyrano[2,3-h]chromen-4-one
288.29
1.6
1
5
68.9
2
5,7-Dihydroxy-2-[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
610.50
-2
11
16
280.43
6
Derride
352.30
3.2
0
6
67.13
2
13-Hydroxy-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14,16,18-heptaen-12-one
368.30
2.5
1
7
87.36
2
(1R,14R)-11,14-dihydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.0^{3,12.0^{4,9.0^{15,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one
426.40
3.2
2
8
103.68
2
1-[(1S,2R,3S,4R)-2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene
416.50
4.9
0
6
55.38
8
(3R,4S)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2,4-dihydrochromene-3,4,7-triol
318.32
1.2
4
6
99.38
3
(3R,4R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2,4-dihydrochromene-3,4,7-triol
318.32
1.2
4
6
99.38
3
3'-O-Methylbrazilin
300.30
1.9
3
5
79.15
1
4-[(7-Hydroxy-2,2-dimethyl-4,9b-dihydro-[1,3]dioxolo[4,5-c]chromen-3a-yl)methyl]benzene-1,2-diol
344.40
2.5
3
6
88.38
2
Isopropylidene derivative of sappanol
344.40
2.5
3
6
88.38
2
(3aR,9bS)-3a-[(4-hydroxy-3-methoxyphenyl)methyl]-2,2-dimethyl-4,9b-dihydro-[1,3]dioxolo[4,5-c]chromen-7-ol
358.40
2.8
2
6
77.38
3
(3aR,9bS)-3a-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-4,9b-dihydro-[1,3]dioxolo[4,5-c]chromen-7-ol
328.40
2.8
2
5
68.15
2
3-[(3,4-Dihydroxyphenyl)methyl]-2,4-dihydrochromene-3,4,7-triol
304.29
0.9
5
6
110.38
2
Sappanol
304.29
0.9
5
6
110.38
2
Episappanol
304.29
0.9
5
6
110.38
2
3-(4-Hydroxybenzyl)-3,4,7-chromantriol
288.29
1.3
4
5
90.15
2
3'-Deoxysappanol
288.29
1.3
4
5
90.15
2
(3E)-7-hydroxy-3-[(3-hydroxy-4-methoxyphenyl)methylidene]chromen-4-one
298.29
2.6
2
5
75.99
2
4'-Omethylbrazilin
300.30
1.9
3
5
79.15
1
3-[(4-Hydroxyphenyl)methyl]-4-methoxy-2,4-dihydrochromene-3,7-diol
302.32
1.8
3
5
79.15
3
3'-Deoxy-4-O-methylsappanol
302.32
1.8
3
5
79.15
3
(10S)-10-(hydroxymethyl)-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-5,10,14,15-tetrol
304.29
1
5
6
110.38
1
5,10,14,15-Tetrahydroxy-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-10-carbaldehyde
302.28
1.2
4
6
107.22
1
(10R)-5,10,14,15-tetrahydroxy-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-10-carbaldehyde
302.28
1.2
4
6
107.22
1
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