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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
CID 101774200
336.50
3.1
1
4
55.76
0
CID 101774202
394.50
2.8
1
6
82.06
2
CID 101774203
394.50
2.8
1
6
82.06
2
(5S)-1-(3,4-dimethoxyphenyl)-5-hydroxytetradecan-3-one
364.50
5.6
1
4
55.76
15
(5S)-1-(3,4-dimethoxyphenyl)-5-hydroxydodecan-3-one
336.50
4.5
1
4
55.76
13
[(5S)-1-(4-hydroxy-3-methoxyphenyl)-3-oxododecan-5-yl] acetate
364.50
4.8
1
5
72.83
14
[(5S)-1-(4-hydroxy-3-methoxyphenyl)-3-oxotetradecan-5-yl] acetate
392.50
5.8
1
5
72.83
16
[(5S)-1-(3,4-dimethoxyphenyl)-3-oxodecan-5-yl] acetate
350.40
4
0
5
61.83
13
7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]chromen-4-one
548.50
-2.1
8
13
219.74
5
(2R,4R,4aS,4bR,7R,8aR,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthrene-2,4,8a-triol
322.50
3.6
3
3
60.69
1
(2S,3R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2S,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
480.60
0.5
6
7
138.45
5
5-hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
524.50
0.7
6
13
193.83
7
[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(1R,2R,3R,4S,5R)-2,3,4-trihydroxy-5-methylcyclohexyl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
622.60
0.3
9
14
236.06
11
[(1S,2R,4aR,8S,8aR)-3',3',8,8a-tetramethyl-3-oxospiro[4,4a,5,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl] acetate
294.40
2.9
0
4
55.9
2
[(1S,2S,4aR,8S,8aR)-3',3',8,8a-tetramethyl-3-oxospiro[4,4a,5,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl] acetate
294.40
2.9
0
4
55.9
2
(4aR,5S,8aR,9aS)-3,3,4a,5-tetramethyl-5,6,7,8,8a,9-hexahydrobenzo[f][1,2]benzodioxol-9a-ol
252.35
2.9
1
3
38.69
0
[(1R,2S,3R,4S,7R,8R,10R,13R)-2-hydroxy-3,4,13-trimethyl-12-oxo-11,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradecan-7-yl] (Z)-2-methylbut-2-enoate
364.40
2.7
1
6
85.36
3
(1R,2S,3R,4S,8R,10R,13R)-2-hydroxy-3,4,13-trimethyl-11,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradecan-12-one
266.33
2.5
1
4
59.06
0
Flavanomarein
450.40
-0.3
7
11
186.37
4
[(2S,3R,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
932.80
-0.1
12
23
363.88
13
[(2S,3R,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
962.90
-0.1
12
24
373.11
14
[(2S,3R,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
916.80
0.3
11
22
343.65
13
[(2R,3R,4R,5R,6S)-2-[[(2R,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-methyloxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
916.80
0.3
11
22
343.65
13
[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
816.70
1
10
20
314.19
12
[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
770.70
1.3
9
18
284.73
11
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