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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
5-Isopropyl-2-(2-methylpropyl)-2-cyclohexen-1-one
194.31
3.7
0
1
17.07
3
Ethyl 1-(ethylthio)propyl disulfide
196.40
3.3
0
3
75.9
6
(4S,6S,7S,11S)-7-hydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one
196.20
0.1
1
4
55.76
0
[(3S)-3-ethenyl-2,5-dimethylhex-4-en-2-yl] acetate
196.29
3.3
0
2
26.3
5
(3Z)-3-(3-methylbut-2-enylidene)-1H-indol-2-one
199.25
2.9
1
1
29.1
1
(E)-5-methylsulfanyl-1-phenylpent-4-en-2-yn-1-one
202.27
3.2
0
2
42.37
2
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
680.60
-0.8
9
17
271.59
14
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
664.60
-0.4
8
16
251.36
14
[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2-[[(2R,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
826.70
-2.2
11
21
330.51
18
[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2-[[(2R,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
856.80
-2.3
11
22
339.74
19
(2R,3R,4S,5S,6R)-2-[[(4S,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
1225.40
-2
17
27
436.21
14
(2R,3R,4S,5S,6R)-2-[[(1S,2R,5R,7S,10R,11R,15S,19S,20S,21S,23R)-7-[(2S,3R,4S,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-20-(hydroxymethyl)-1,2,6,6,10,17,17-heptamethyl-22-oxahexacyclo[12.9.0.02,11.05,10.015,20.021,23]tricos-13-en-19-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
1223.30
-2.6
16
27
428.51
14
6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-4-one
206.22
0.8
1
3
39.97
0
4-[(Z)-4-hydroxy-3-methylbut-2-enoxy]benzaldehyde
206.24
1.6
1
3
46.53
5
3-[(1S,4R,5R,7S,8S,9R,12S,13R)-7-acetyloxy-4,8-dimethyl-5-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoic acid
526.70
7.5
1
6
89.9
8
[(9R,13S,16S,17R,18S)-16-[(1R)-1-hydroxy-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-8,8,13,17-tetramethyl-6-oxo-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4,10-tetraen-18-yl] acetate
536.70
4.5
1
7
99.13
4
methyl (1S,2S,3'R,4S,4'E,5S,6S,7S)-3'-hydroxy-4'-[(4-hydroxyphenyl)methylidene]-5'-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[3,8-dioxatricyclo[4.4.0.02,4]dec-9-ene-5,2'-oxolane]-10-carboxylate
564.50
-1.7
6
14
214.2
6
[(2E,4S)-4-ethenyl-2,5-dimethylhexa-2,5-dienyl] propanoate
208.30
4
0
2
26.3
7
Methyl 1-(1-propenylsulfinyl)propyl disulfide
210.40
1.9
0
4
86.88
5
(7Z)-8-methylsulfanyltrideca-1,7-dien-3,5,9,11-tetrayne
210.30
4
0
1
25.3
4
Butyl 1-(methylthio)propyl disulfide
210.40
3.9
0
3
75.9
7
(5E,7E)-pentadeca-5,7-dien-9,11,13-triyn-2-one
210.27
3
0
1
17.07
6
Artemisyl propionate
210.31
4.1
0
2
26.3
6
(6S,7R)-6-hydroxy-7-methyl-2,3,4,5,6,7-hexahydro-1H-cyclopenta[c]pyridine-4-carboxylic acid
197.23
-3.4
3
4
69.56
1
Methyl 1-(propylsulfinyl)propyl disulfide
212.40
1.9
0
4
86.88
6
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