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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
erythro-6,8-Dotriacontanediol
482.90
14.3
2
2
40.46
29
(1R,4S,5R,9S,10S,12R,13R,14S,16S)-16-hydroxy-5,9,13-trimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane-5-carboxylic acid
318.40
4.1
2
3
57.53
1
[(1S,3R)-1-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(5R,8S,9S,10R,14R)-4,4,8,10,14-pentamethyl-3,16-dioxo-2,5,6,7,9,11,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl] acetate
512.70
5.6
0
5
72.97
6
16(R)-(-)-kaura-2,12-dione
302.50
4
0
2
34.14
0
[(1S,3R)-3-[(5R,8S,9S,10S,11S,14R,16S)-11,16-dihydroxy-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-1-[(2R)-3,3-dimethyloxiran-2-yl]butyl] acetate
530.70
4.1
2
6
96.36
6
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aS,6bR,8aS,10R,11S,12aR,14bS)-11-carboxy-10-hydroxy-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a-dodecahydropicen-3-yl]oxy]-5-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
969.10
2.8
11
20
329.12
9
(1S,2R,5S,6S,9S,11R,12S,13R)-6-(furan-3-yl)-13-hydroxy-5,12,16,16-tetramethyl-7,10,17-trioxahexacyclo[13.3.3.01,15.02,12.05,11.09,11]henicos-19-ene-8,14,21-trione
468.50
1.7
1
8
115.57
1
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylhept-6-en-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
426.70
8.2
1
2
37.3
6
[(1S,2R,6S,7R,9R,11S,12S,14R,15R,16R)-14-acetyloxy-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-hydroxy-2-methyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-16-yl]methyl acetate
570.70
2.9
1
9
128.73
7
[(1S,2R,6S,7R,9R,11S,12S,14R,15R,16S,17R)-17-acetyloxy-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-14-yl] acetate
570.70
3
1
9
128.73
6
3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
902.80
-3.8
14
24
387.27
11
(1R,7S,8S)-7-(hydroxymethyl)-1,2,3,5,6,8-hexahydropyrrolizine-1,7-diol
173.21
-1.5
3
4
63.93
1
(2S,3R,4S,5S,6R)-2-[[(1S,7S,7aS)-7-hydroxy-7-methyl-6,7a-dihydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
330.33
-1.6
5
8
128.84
3
(1S,4aS,5S,6S,7R,7aR)-6-chloro-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4a,5,7-triol
384.76
-3.2
7
10
169.3
3
(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5R,7S,7aS)-5,7-dihydroxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
334.32
-2.4
6
9
149.07
3
(2S,3R,4S,5S,6R)-2-[[(1S,4aR,6S,7S,7aS)-6-hydroxy-7-(hydroxymethyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
348.34
-1.6
6
9
149.07
4
(4R,5R)-1,5-bis(3,4-dihydroxyphenyl)-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-1-one
496.50
-0.9
9
12
217.6
9
(4R,5S)-1,5-bis(3,4-dihydroxyphenyl)-5-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-1-one
496.50
-0.9
9
12
217.6
9
(4R,5R)-1,5-bis(3,4-dihydroxyphenyl)-5-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-1-one
510.50
-0.4
8
12
206.6
10
2-[5-Carboxy-4-(5-carboxy-2,3-dihydroxyphenoxy)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoic acid
506.30
1.1
10
15
271.97
7
1,2,5,6-Tetrahydroxy-4-(2-methylbut-3-en-2-yl)-7-(3-methylbut-2-enyl)xanthen-9-one
396.40
6
4
6
111.13
4
(1R,5S,7R,13R,20R)-11-hydroxy-5,10,13,14,15-pentamethoxy-7,20-diphenyl-2,8,21-trioxapentacyclo[11.8.0.01,17.03,12.04,9]henicosa-3,9,11,14,17-pentaen-16-one
614.60
3.8
1
10
111.14
7
4-Demethylcalycopterone
600.60
3.2
2
10
122.14
6
(4aR,8R,8aR)-4,4,8a-trimethyl-7-methylidene-8-(3-methylidenepent-4-enyl)-2,3,4a,5,6,8-hexahydro-1H-naphthalene
272.50
7.5
0
0
0
4
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,10S,12aR,14aR,14bR)-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
957.10
2.6
11
19
312.05
9
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