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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
(3R)-3-hydroxy-12'-apo-beta-carotenal
366.50
6.2
1
2
37.3
7
Chloroisosulochrin
366.70
3.6
3
7
113.29
5
(S)-1,3-benzodioxol-5-yl-[(3S,4S)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methanol
372.40
2.9
1
6
66.38
6
CID 11101100
386.40
-1.6
5
8
136.68
4
Burseran
386.40
4
0
6
55.38
7
4-Methylcyclohex-3-enecarbaldehyde
124.18
1.1
0
1
17.07
1
(1S,2S,4R,6R,7R)-6-bromo-4-[(1S)-1-bromopropyl]-2-[(Z)-pent-2-en-4-ynyl]-3,8-dioxabicyclo[5.1.1]nonane
392.13
4.2
0
2
18.46
4
(1S,2S,4R,6S,7S)-7-bromo-4-[(1S)-1-bromopropyl]-2-[(E)-pent-2-en-4-ynyl]-3,9-dioxabicyclo[4.2.1]nonane
392.13
4.2
0
2
18.46
4
(3E,8S,11E,16S)-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadeca-3,11-diene-2,5,10,13-tetrone
392.40
-0.2
0
8
120.88
4
[(2R,2'S,3S,4S,4aS,5'R,7R,8S,8aR)-5'-(furan-3-yl)-2',7,8-trihydroxy-3,8,8a-trimethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-4,3'-oxolane]-2-yl] acetate
408.50
1.6
3
7
109.36
3
(2R)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-3-(3,4,5-trimethoxyphenyl)propan-1-ol
418.50
4.2
1
7
75.61
12
Iso-dulcinol
424.60
5.2
1
4
63.6
3
(all-E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenedial
428.60
9.1
0
2
34.14
12
Schisandrol A
432.50
4
1
7
75.61
6
[(E)-2-[(4R,5S,7S,8S)-8-(hydroxymethyl)-7,8-dimethoxy-2,5-dimethyl-5-(4-methylpent-3-enyl)-6,7-dihydro-4H-cyclohepta[b]furan-4-yl]ethenyl] 3-methylbut-2-enoate
460.60
5.2
1
6
78.13
10
[(1S,4aS,4bR,6S,6aS,7S,8S,9S,10aS,10bR,12aS)-8-acetyl-1-ethyl-7-formyl-9-hydroxy-1,4a,6a,10b-tetramethyl-2,3,4,4b,5,6,7,8,9,10,10a,11,12,12a-tetradecahydrochrysen-6-yl] acetate
474.70
6.3
1
5
80.67
5
Artogomezianol
488.50
5
8
8
161.84
6
[(1S,6S,7R,7aS)-6-acetyloxy-4-[(2-acetyloxy-3-methylbutanoyl)oxymethyl]spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-1-yl] 3-methylpentanoate
494.50
2.3
0
10
126.96
14
(2S,3R,4S,5S,6R)-2-[[(2R,3S)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxy-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
510.50
0.2
6
12
176.76
7
(1R,2S,5S,8S,9R,14R,15R,17R,18R,21S,24R,26S,27S)-5,14,15-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosane-4,10,22,29-tetrone
546.60
-1
3
11
165.89
0
Diepomuricanin
546.90
12.8
0
4
51.36
27
[(2R,3S,4S,5R,6S)-6-(2,5-dihydroxy-6-oxo-9-phenylphenalen-1-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methyl N-carbamoylcarbamate
552.50
1.8
7
11
218.1
6
CID 11103620
552.50
-0.4
7
13
196.99
7
alpha-Terpinyl acetate
196.29
2.4
0
2
26.3
3
(2S)-4-[(15R)-15-Hydroxy-15-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-one
592.90
12.9
2
5
75.99
28
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