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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
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]oxyoxane-3,4,5-triol
314.37
0.5
4
6
99.38
4
Neryl beta-glucopyranoside
316.39
1.2
4
6
99.38
7
1,2,4-Nonadecanetriol
316.50
6.4
3
3
60.69
17
(3E,4S)-3-[2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one
318.40
4.4
1
3
46.53
2
[(3aR,4R,5R,6S,6aR,9aR,9bR)-4,6-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-5-yl] acetate
322.40
0.4
2
6
93.06
2
(4S,4aS,6aS,7R,11aS,11bR)-4a-hydroxy-4,7,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-4-carboxylic acid
332.40
4
2
4
70.67
1
(4aR,4bS,7S,9S,10aS)-7-ethenyl-9-hydroxy-1,1-bis(hydroxymethyl)-4a,7-dimethyl-2,4,4b,5,6,9,10,10a-octahydrophenanthren-3-one
334.40
1.3
3
4
77.76
3
Abietic acid
302.50
4.8
1
2
37.3
2
(1R,5R,6R,7R)-7-(1,3-benzodioxol-5-yl)-5-methoxy-6-methyl-3-prop-2-enylbicyclo[3.2.1]oct-3-ene-2,8-dione
340.40
3.2
0
5
61.83
4
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,2R,3S,4S)-3-hydroxy-4-methyl-1-prop-1-en-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl]oxy]oxane-3,4,5-triol
346.37
-1.1
5
8
128.84
4
2-[(1R,4R)-4,8-dihydroxy-3-oxo-2,4-dihydro-1H-naphthalen-1-yl]-8-hydroxynaphthalene-1,4-dione
350.30
1.9
3
6
111.9
1
2-[(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexyl]acetic acid
352.30
0.4
5
8
144.52
6
(+)-Tephrosone
352.40
3.5
2
5
75.99
3
Pyrogallol
126.11
0.5
3
3
60.69
0
methyl (2S,3R)-3-[(S)-cyano(phenyl)methoxy]-2-hydroxy-3-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]oxypropanoate
353.32
0.1
2
9
135.31
11
(1R,5S,8R,9R)-8-(4-hydroxy-3-methoxyphenyl)-5-methoxy-9-methyl-3-prop-2-enyl-6-oxabicyclo[3.2.2]non-3-ene-2,7-dione
358.40
3
1
6
82.06
5
Annosquamosin A (terpene)
362.50
3.9
1
4
63.6
4
2,3,8,10-tetrahydroxy-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one
368.30
3.6
4
7
120.36
1
((1S,5R,6S)-5-(Benzoyloxy)-1,6-dihydroxy-2-oxocyclohex-3-en-1-yl)methyl benzoate
382.40
1.9
2
7
110.13
7
7-Deoxyauramycinone
382.40
3
3
7
121.13
2
Kushenol V
386.40
3.9
4
7
116.45
4
CID 10572278
387.40
1.2
2
6
94.09
4
(1S,2S)-2-[4-[(2S)-2,3-dihydroxypropyl]-2-methoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
394.40
0.7
5
8
128.84
10
(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(1R)-1-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
395.60
5.8
0
2
29.43
2
(1R,5S,8R,9R)-5-methoxy-9-methyl-3-prop-2-enyl-8-(3,4,5-trimethoxyphenyl)-6-oxabicyclo[3.2.2]non-3-ene-2,7-dione
402.40
3.3
0
7
80.29
7
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