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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
(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
632.80
4.8
5
9
153.75
4
[5,12-Diacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] pyridine-3-carboxylate
517.60
2.5
0
10
127.32
10
[5,8,12-Triacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
574.60
3.2
0
11
140.73
12
[(1S,2R,5S,6S,7R,8R,9R,12R)-5,8,12-triacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
574.60
3.2
0
11
140.73
12
[(1S,2R,5S,6S,7S,8S,9R,12R)-5,8,12-triacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
574.60
3.2
0
11
140.73
12
[5,8,12-Triacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] pyridine-3-carboxylate
575.60
2.1
0
12
153.62
12
[5,12-Diacetyloxy-6-(acetyloxymethyl)-8-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
532.60
2.6
1
10
134.66
10
[4,7,12-Triacetyloxy-6-(acetyloxymethyl)-5-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] benzoate
590.60
2.2
1
12
160.96
12
[4,5,8,12-Tetraacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
632.70
2.8
0
13
167.03
14
[(1S,2R,4S,5R,6S,7R,8R,9R,12R)-4,5,8,12-tetraacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
632.70
2.8
0
13
167.03
14
[3,4,5,7,12-Pentaacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] benzoate
690.70
2.4
0
15
193.33
16
Lupulin D
466.60
3
0
8
92.82
7
Platydiol
170.25
1.4
2
2
40.46
0
1,7,7-Trimethylbicyclo[2.2.1]heptane-2,6-diol
170.25
1.4
2
2
40.46
0
Medicoside H
943.10
0.8
11
19
312.05
9
[(3S,4aR,6aS,6bS,8aS,12aR,14bS)-4,4,6a,6b,8a,9,9,14b-octamethyl-1,2,3,4a,5,6,7,8,10,11,12,12a,13,14-tetradecahydropicen-3-yl] acetate
468.80
9.4
0
2
26.3
2
[(3S,4aR,6aS,6aR,6bR,12aR,14aR,14bR)-4,4,6a,6b,9,9,12a,14b-octamethyl-1,2,3,4a,5,6,6a,7,10,11,12,13,14,14a-tetradecahydropicen-3-yl] acetate
468.80
9.9
0
2
26.3
2
(E,8R)-1,11-bis(furan-3-yl)-4,8-dimethylundec-3-en-6-one
328.40
5.3
0
3
43.35
11
9-Isobutyryloxy-8,10-dehydrothymol
234.29
3.7
1
3
46.53
5
(1R,5S)-2,5,6,6-tetramethylcyclohex-2-ene-1-carbaldehyde
166.26
2.5
0
1
17.07
1
3beta-Hydroxycinnamolide
250.33
2.5
1
3
46.53
0
(1aR,2R,2aR,5R,5aR,7aS)-5-bromo-1,1,2a,5a-tetramethyl-1a,2,3,4,5,6,7,7a-octahydrocyclopropa[f]azulen-2-ol
301.26
4.4
1
1
20.23
0
(E)-5-thiophen-2-ylpent-2-en-4-ynal
162.21
1.9
0
2
45.31
2
[(8R,9S,13S,14S)-8,13-dimethyl-17-oxo-6,7,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-yl] acetate
326.40
4.1
0
3
43.37
2
3-Hexadecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)-
378.50
6.4
2
4
66.76
16
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