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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
Urolithin-3-sulfate
292.27
2.1
1
6
102.19
2
Methyl 15,16-dihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,11-dioxo-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
684.70
-1.1
6
16
245.04
9
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18R)-16-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
917.00
0
10
19
293.21
9
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18R)-16-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
917.00
0
10
19
293.21
9
(1S,12S,14S)-9-methoxy-4-methyl-4-oxido-11-oxa-4-azoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-trien-14-ol
305.40
1.4
1
4
61.75
1
4,5-Seco-dopa
229.19
-2.9
4
7
137.92
6
1-[1-methyl-2-(2-oxopropyl)-3,6-dihydro-2H-pyridin-6-yl]but-3-en-2-one
221.29
1
0
3
37.38
5
1,3,7-Trihydroxy-2-methoxy-[1]benzofuro[2,3-b]chromen-11-one
314.25
3.2
3
7
113.27
1
9-Methoxyaristolactam I
323.30
3.1
1
5
66.02
2
2',3-Dihydroxy-3'-methoxy-4,5-methylenedioxybibenzyl
288.29
3.2
2
5
68.15
4
3,3'-Dihydroxy-4,5-methylenedioxybibenzyl
258.27
3.2
2
4
58.92
3
1,6-Dimethoxy-9H-carbazole-3-carboxaldehyde
255.27
2.8
1
3
51.32
3
methyl 6-methoxy-9H-carbazole-3-carboxylate
255.27
3.2
1
3
51.32
3
methyl 3-ethyl-1-formyl-4-oxo-7,12-dihydro-6H-indolo[2,3-a]quinolizine-2-carboxylate
350.40
1.8
1
4
81.16
4
2-(3-Hydroxy-3-methylbutyl)-1,3,5,6-tetrahydroxyxanthone
346.30
2.6
5
7
131.36
3
2alpha,3beta,19alpha-Trihydroxyoleana-12-ene-23,28-dioic acid
518.70
4.4
5
7
135.29
2
(1R,3R,4aS,7R,8aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalene-1,3-diol
256.38
1.8
3
3
60.69
1
(1R,3S,4aS,6R,8aR)-6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalene-1,3-diol
254.36
1.1
3
3
60.69
1
(E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal
518.50
0.4
5
11
164.37
9
(E)-3-[(2S,3R)-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxy-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal
548.50
0.4
5
12
173.6
10
(2R,3R,4S,5S,6R)-2-[[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-[(E)-3-methoxyprop-1-enyl]-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
534.60
0.9
5
11
156.53
10
[(1R,2S,4aR,8aR)-7-(2-hydroperoxypropan-2-yl)-1-hydroxy-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2H-naphthalen-2-yl] (Z)-2-methylbut-2-enoate
366.40
2
2
6
93.06
5
[3-Hydroxy-3-(hydroxymethyl)-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-8-yl] acetate
322.40
0.6
2
6
93.06
3
2,3,6,7-Tetrahydro-4-methyl-2-[(1E)-3-methyl-1,3-butadien-1-yl]oxepin
178.27
3.1
0
1
9.23
2
Gravacridonol
323.30
3.4
2
5
71.69
2
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