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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
Glabrocoumarin
336.30
3.8
2
5
79.9
1
1-[(2S,4aR,4bS,6R,8R,8aS)-6-hydroxy-8-(hydroxymethyl)-2,4b,8-trimethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol
338.50
2
4
4
80.92
3
3-Pentanol
88.15
1.2
1
1
20.23
2
(1S,4S,5R,9R,13S,14S)-13,14-dihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid
350.40
2.3
4
5
97.99
2
Crotaorixin
354.40
5.1
3
5
86.99
6
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]prop-2-enamide
357.40
2.4
2
5
77.02
8
(2R,3S)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol
358.40
2.9
2
6
77.38
7
Dihydrocubebin, rel-
358.40
2.9
2
6
77.38
7
2-[(4-Hydroxyphenyl)methyl]-5-methoxy-3-[2-(3-methoxyphenyl)ethyl]phenol
364.40
5.3
2
4
58.92
7
1,2-Butanediol
90.12
-0.2
2
2
40.46
2
(3S,4S)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]oxolan-2-one
386.40
3.4
1
7
83.45
6
(1S,8R,9S,12R,13R,14R,15R,16S)-15-chloro-8,13,14-trihydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione
398.80
0.1
3
7
117.2
1
(1S,8S,9S,13R)-16-hydroxy-3,4,5-trimethoxy-11,20-dioxapentacyclo[6.6.6.01,19.02,7.09,13]icosa-2,4,6,15,18-pentaene-10,17-dione
400.40
1.6
1
8
100.52
3
(2S)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chromen-6-ol
400.60
9.9
1
2
29.46
12
2-(Hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol
342.30
-4.2
8
11
189.53
4
3-HYDROXY-5-(2-(3-HYDROXY-4-METHOXYPHENYL)ETHYL)PHENYL beta-D-GLUCOPYRANOSIDE
422.40
1
6
9
149.07
7
Esculeogenin B
447.60
4
4
5
81.95
1
vitisinol D
454.50
3.9
4
6
115.06
4
Hydnocarpin D
464.40
3.3
4
9
138.82
4
[(2S,3R,5S,8R,9S,10S,13R,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-3-(3-methylbut-2-enoylamino)-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-yl] acetate
484.70
6.2
1
4
58.64
6
O-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] N-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]methyl]carbamothioate
491.50
-1.4
8
12
222.65
7
(1S,4aS,6S,7aS)-1-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-(4-hydroxybenzoyl)oxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7-methylidene-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
494.40
-0.6
6
12
192.44
7
Styraxlignolide E
520.50
1.5
5
11
164.37
9
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl benzoate
522.50
-0.7
6
12
184.6
10
methyl (E,2R)-2-hydroxytritriacont-7-enoate
522.90
15
1
3
46.53
31
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