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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
7-hydroxy-2-methoxy-9H-carbazole-1,6-dicarbaldehyde
269.25
2.5
2
4
79.39
3
8-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-7-methoxy-9H-carbazole-3-carbaldehyde
377.50
6.8
2
3
62.32
7
2,7-dimethyl-2-(4-methylpent-3-enyl)-10H-pyrano[2,3-b]carbazol-8-ol
347.40
6.3
2
2
45.25
3
7-hydroxy-3-methyl-8-(3-methylbut-2-enyl)-9H-carbazole-1,4-dione
295.30
3.9
2
3
70.16
2
8-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-[8-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,7-dihydroxy-3-methyl-9H-carbazol-2-yl]-3-methyl-9H-carbazole-1,7-diol
696.90
13.4
6
4
112.5
11
8-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-[8-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-hydroxy-7-methoxy-3-methyl-9H-carbazol-2-yl]-7-methoxy-3-methyl-9H-carbazol-1-ol
725.00
14
4
4
90.5
13
(7S,9R,10R)-10-[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
543.60
2
6
11
177.22
4
[(2R,3R,4S,5S)-3-hydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-5-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyoxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
956.90
3.7
8
20
303.96
22
6,6-Dimethyl-2-methylidenecyclohex-3-ene-1-carbaldehyde
150.22
2.1
0
1
17.07
1
2-Hydroxy-3,5,5-trimethyl-4-methylenecyclohex-2-en-1-one
166.22
1.6
1
2
37.3
0
3-(But-1-enyl)-2,4,4-trimethylcyclohex-2-en-1-ol
194.31
2.8
1
1
20.23
2
4-Hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-ene-1-carboxaldehyde
182.22
0.8
1
3
54.37
1
4-Hydroxy-2,6,6-trimethyl-3-oxo-1,4-cyclohexadiene-1-carboxaldehyde
180.20
1.4
1
3
54.37
1
3-(But-1-enyl)-2,4,4-trimethylcyclohexan-1-ol
196.33
3.6
1
1
20.23
2
(2S,3R)-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methylbut-2-enyl)-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
508.60
7.2
5
7
127.45
8
Allyl phenylacetate
176.21
2.4
0
2
26.3
5
Millettin
418.40
6.4
2
6
93.04
2
3-Methoxyphenylacetic acid
166.17
1.5
1
3
46.53
3
(1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16R)-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,14,16-triol
610.80
2.1
7
10
169.3
7
Hexacosanyl caffeate
544.80
15.4
2
4
66.76
28
Triacontanyl caffeate
601.00
17.6
2
4
66.76
32
Glabrachromene I
380.40
4.6
1
6
74.22
4
2-(7-Methoxy-1,3-benzodioxol-5-yl)furo[2,3-h]chromen-4-one
336.30
3.4
0
6
71.04
2
Flemingsin
436.50
6.5
3
6
100.13
6
(2S,3R,4S,5S)-2-[(1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxyoxane-3,4,5-triol
560.70
2.5
4
8
117.84
2
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