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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
[(2S,3R,4R,5S,6S)-5-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S)-2-methylbutanoyl]oxyoxan-2-yl]oxy-6-methyl-2-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] dodecanoate
1267.50
7.7
9
25
353.27
27
[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2S,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate
1339.20
-2.4
14
34
507.02
30
(1S,5R)-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octan-3-one
142.21
0.3
0
2
20.31
0
Deuterio 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecadeuterioheptanoate
144.27
2.5
1
2
37.3
5
Cleroindicin F
154.16
-0.7
1
3
46.53
0
6-Methoxyindoline-2,3-dione
177.16
0.6
1
3
55.4
1
2,5-imino-2,5,6-trideoxy-D-manno-heptitol
177.20
-2
5
5
92.95
3
1H-Pyrido[3,4-b]indol-5-ol, 2,3,4,9-tetrahydro-
188.23
1.1
3
2
48.05
0
1-(Benzo[d][1,3]dioxol-5-yl)butan-1-ol
194.23
2.3
1
3
38.69
3
(1R,2S)-1-hydroxy(313C)propane-1,2,3-tricarboxylic acid
195.10
-1.8
4
7
132.13
5
Paeonilactone B
196.20
0.1
1
4
63.6
0
Gelsemiol
200.23
0.5
2
4
66.76
2
omega-Cadinene
204.35
3.8
0
0
0
1
(1R,4aS,8aS)-1,6-dimethyl-4-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene
204.35
4
0
0
0
1
Oxacyclotetradecan-2-one, 13-methyl-, (13R)-
226.35
5.1
0
2
26.3
0
5-methoxy-3-methyl-9H-carbazol-2-ol
227.26
3.4
2
2
45.25
1
3,9-dihydroxy-6H-benzo[c]chromen-6-one
228.20
2.3
2
4
70.67
0
Stilbostemin B
228.29
3.8
2
2
40.46
3
(5S,6S)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-5,7-dihydro-1-benzofuran-4-one
230.30
4
0
2
30.21
2
Lubiminol
238.37
3.5
2
2
40.46
2
Olivetol
180.24
3.6
2
2
40.46
4
Clausenal
255.27
2.8
1
3
51.32
3
2-(3,4-Dihydroxyphenyl)-1,3-benzodioxole-5-carboxaldehyde
258.23
2
2
5
75.99
2
Megistoquinone I
259.21
1.6
0
6
78.63
2
(E,2S)-2-[(2S,5R)-5-ethenyl-2,5-dimethyloxolan-2-yl]-6-hydroxy-6-methylhept-4-en-3-one
266.38
2.1
1
3
46.53
5
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