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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
Thalbaicalidine
371.40
3
1
6
60.39
4
6-((Z)-pentadec-8-en-1-yl)salicylic acid
374.60
9.6
2
3
57.53
16
[(3aR,4R,6R,6aR,7R,9aS,9bS)-7,9a-dihydroxy-9-methyl-3-methylidene-2-oxospiro[3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-6,2'-oxirane]-4-yl] (E)-2-methylbut-2-enoate
376.40
0.3
2
7
105.59
3
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]butan-2-yl]oxyoxane-3,4,5-triol
376.50
1.2
5
7
119.61
6
3,7-Dimethylocta-1,5,7-trien-3-ol
152.23
2.8
1
1
20.23
4
8,5'-Diferulic acid
386.40
2.7
4
8
133.52
7
(E)-4-[(1S,4S,6R)-2,2,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxabicyclo[4.1.0]heptan-1-yl]but-3-en-2-one
386.40
-0.6
4
8
128.98
5
Piperbetol
386.40
3.5
1
6
82.06
7
Euglobal IIb
386.50
5.7
2
5
83.83
5
(8aR,10aS)-1,3-dihydroxy-7-methyl-2-(3-methylbutanoyl)-10a-propan-2-yl-5,8,8a,9-tetrahydroxanthene-4-carbaldehyde
386.50
5.3
2
5
83.83
5
(8aR,10aR)-1,3-dihydroxy-8a-methyl-4-(3-methylbutanoyl)-6-propan-2-yl-7,8,9,10a-tetrahydroxanthene-2-carbaldehyde
386.50
5.1
2
5
83.83
5
Tetradecyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
390.60
8.5
1
4
55.76
17
1,3,5-Trihydroxy-2,8-bis(3-methylbut-2-enyl)-10-methyl-9-acridone
393.50
6.5
3
5
82.69
4
8,10,12-Trihydroxy-3-methoxy-1-methyl-6,11-dioxotetracene-2-carboxylic acid
394.30
3.5
4
8
141.36
2
4-Methyl-2-propylpentan-1-ol
144.25
2.9
1
1
20.23
5
Cowaxanthone
410.50
6.2
3
6
100.13
6
(2,4,10,15-Tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-3-yl) acetate
410.50
0.3
4
7
119.75
2
Heptacosane-6,8-diol
412.70
11.6
2
2
40.46
24
(6R,8S)-heptacosane-6,8-diol
412.70
11.6
2
2
40.46
24
(1R,2R,6R,9S,10R,11R,14S,15S,17R,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-17,20-diol
415.70
5.5
2
3
43.7
0
nymphaeol B
424.50
5.8
4
6
107.22
6
(3S,4aR,6aR,6aS,6bR,8aR,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13-tetradecahydropicen-3-ol
426.70
9.2
1
1
20.23
0
[(2R,3S)-6-oxo-2-[(1S,2R,3S)-1,2,3-triacetyloxyheptyl]-2,3-dihydropyran-3-yl] acetate
428.40
1.9
0
10
131.5
14
(1R,2S,6S,9S,10S,11R,14S,15S,18S,20S,23R)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
429.60
3.9
2
4
60.77
0
1,7-Bis(4-hydroxy-3-methoxyphenyl)-5-oxoheptane-3-sulfonic acid
438.50
2.3
3
8
138.74
11
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