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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-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one
422.50
6.2
4
6
111.13
5
D-Araf(a1-6)Glc(b)-O-octyl
424.50
-0.2
6
10
158.3
12
Dulxanthone C
424.50
6.6
2
6
89.13
6
(3R,3aR,5bR,6R,7aS,11aS,11bR,13aS,13bR)-3a,5b,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrocyclopenta[a]chrysen-6-ol
426.70
9.3
1
1
20.23
1
5,7-dihydroxy-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
432.40
0.9
6
10
170.05
4
(1R,5R,8R,9R,12R,13R,16S)-8-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-16-hydroxy-9,13-dimethyl-18,19-dioxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-3-en-2-one
442.60
5.5
1
4
55.76
4
(3S)-3-(3-hydroxy-4-methoxyphenyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroisochromen-1-one
448.40
0.8
5
10
155.14
5
[3-(1-Hydroxy-3,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl] 2,3,6-trihydroxy-2,6-dimethyloct-7-enoate
460.50
2
4
8
141.36
11
3-[(1R,3aR,4S,4'S,5S)-1',4,4'-trimethyl-4'-[(1Z,2R)-1-(4-methyl-5-oxofuran-2-ylidene)propan-2-yl]-5-prop-1-en-2-ylspiro[3,3a,5,6-tetrahydro-2H-indene-1,5'-cyclopentene]-4-yl]propanoic acid
464.60
6.6
1
4
63.6
6
3,6-Diethoxy-1-hydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one
466.60
7.7
1
6
78.13
9
[(1S,5R)-4,6,6-trimethyl-5-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]cyclohex-3-en-1-yl] acetate
468.80
10.3
0
2
26.3
14
[(3S,4aR,6aR,6bS,8aR,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
468.80
9.6
0
2
26.3
2
Hemilxanthene
472.50
4.4
2
7
102.29
7
[(2R,3R)-3-(acetyloxymethyl)-2-(1,3-benzodioxol-5-ylmethyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)butyl] acetate
474.50
3.8
1
9
109.75
13
Garciduol C
486.40
5.2
5
9
157.66
4
Coagulin M
488.60
2
3
7
113.29
2
di-O-propylmangostin
494.60
8.7
1
6
78.13
11
8-(13-Hydroxyhexadecyl)-1,5,9,13-tetrazacycloheptadecan-6-one
496.80
5.8
5
5
85.42
15
Artonol D
498.50
5.1
1
7
103.04
1
(1S,3R,8R,11S,12S,15R,16R)-15-[(2S,3S,4S,5S)-2-ethoxy-4-hydroxy-5-(2-methylprop-1-enyl)oxolan-3-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
498.70
7.3
1
4
55.76
4
[(2S,3R,4S,5S,6R)-2-[[(3S,4R)-4-ethenyl-8-oxo-4,6-dihydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
502.50
1.1
4
11
161.21
8
[(3S,8S,9S,10R,11S,12S,13S,14R,17S)-17-acetyl-11-acetyloxy-3,8,14-trihydroxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] 3-methylbutanoate
506.60
1.8
3
8
130.36
7
Wwihqmxkphuikr-hyvkqyarsa-
506.70
5.4
5
6
118.22
6
(5R,5aR,6aS,6bS,10aR,11R,12aS,12bS,12cS)-10a-chloro-5a,11-dihydroxy-3-(hydroxymethyl)-3',4',6b,12c-tetramethylspiro[2,6,6a,10,11,12,12a,12b-octahydro-1H-benzo[j]aceanthrylene-5,5'-furan]-2',4,7-trione
517.00
1.9
3
7
121.13
1
(2S,4S,7R,8S,9S,12R,13R,16R,17S,18R)-16-acetyloxy-2,9,13,17-tetramethyl-7-(4-methyl-2-oxopent-3-enyl)-6-oxo-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-1(20)-ene-17-carboxylic acid
540.70
5.3
1
7
106.97
6
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