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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
methyl (1R,4R,10R,11S,12S,14R,15R,19S)-12-acetyloxy-10,15-dimethyl-3,6-dioxapentacyclo[9.7.1.01,14.04,19.05,9]nonadeca-5(9),7-diene-15-carboxylate
402.50
3.1
0
6
74.97
4
methyl (1R,4R,10R,11S,12S,14R,15R,19S)-12-hydroxy-10,15-dimethyl-3,6-dioxapentacyclo[9.7.1.01,14.04,19.05,9]nonadeca-5(9),7-diene-15-carboxylate
360.40
2.5
1
5
68.9
2
methyl (1R,4R,10R,11S,14R,15S,16S,19S)-16-hydroxy-10,15-dimethyl-2-oxo-3,6-dioxapentacyclo[9.7.1.01,14.04,19.05,9]nonadeca-5(9),7-diene-15-carboxylate
374.40
2.9
1
6
85.97
2
methyl (1R,4R,10R,11S,14R,15S,16S,19S)-16-acetyloxy-10,15-dimethyl-2-oxo-3,6-dioxapentacyclo[9.7.1.01,14.04,19.05,9]nonadeca-5(9),7-diene-15-carboxylate
416.50
3
0
7
92.04
4
[(1S,4aS,5R,6R,8aR)-6-hydroxy-1,4a,6-trimethyl-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
452.60
7.4
2
4
66.76
9
4-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(4-hydroxyphenyl)prop-2-enyl]-2-methoxyphenol
356.40
3.8
2
5
68.15
5
4-[2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2H-furan-5-one
300.40
5.4
0
2
26.3
2
3-methyl-5-[4-[(2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one
317.40
2.7
0
5
55.84
5
[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
524.50
-1.3
7
13
208.13
8
(1R,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-5-(3-methylpenta-2,4-dienyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
302.50
5.7
1
2
37.3
4
(1R,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
220.35
3.8
0
1
12.53
0
4-[(3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(4-hydroxyphenyl)prop-1-enyl]phenol
326.40
3.8
2
4
58.92
4
(2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)pent-4-ene-1,2-diol
316.30
2.2
4
5
90.15
6
(2S,3S)-3,5-bis(4-hydroxy-3-methoxyphenyl)pent-4-ene-1,2-diol
346.40
2.2
4
6
99.38
7
[(1R,2R,3S,4R,5R,6S,8S,10R,11R,12R,15S)-3,4,6,11-tetraacetyloxy-2-hydroxy-1,15-dimethyl-9-methylidene-14-oxo-8-(3-phenylprop-2-enoyloxy)-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-5-yl]methyl benzoate
816.80
3.5
1
15
204.33
16
(2S,3S,4S,5R)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
478.40
0.6
8
13
227.58
4
7-Hydroxy-3-(thiophen-2-yl)isobenzofuran-1(3H)-one
232.26
3
1
4
74.77
1
Uralenneoside
286.23
-1
5
8
136.68
3
(4E,5S)-5-(2-hydroxyethyl)-3-methyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethylidene]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclopent-2-en-1-one
492.50
-4.1
8
13
215.83
7
(1R,5R,6S,7R)-3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-7-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,5,6-tris(3-methylbut-2-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
642.90
11.3
3
6
111.9
12
Cardol triene
314.50
7.2
2
2
40.46
12
methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-4-[(2R)-5-oxopyrrolidin-2-yl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
539.60
0.5
2
9
117.64
7
methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-4-[(2S)-5-oxopyrrolidin-2-yl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
539.60
0.5
2
9
117.64
7
[(2R,3S,4R,5R,6S)-6-(4-formylphenoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
430.40
1.3
4
9
142.75
8
Isocaffeine
194.19
-0.1
0
3
61.82
0
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