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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
(8R)-4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione
278.30
3.6
0
3
43.37
0
Obtusalin
442.70
7.6
2
2
40.46
2
(1S,3aS,5aS,5bR,7aR,9S,11aR,11bR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
442.70
7.4
2
2
40.46
2
2-(4-Hydroxyphenyl)-3,5,7-trimethoxy-4H-1-benzopyran-4-one
328.30
2.9
1
6
78.13
4
[(1S,4aS,6S,7R,7aS)-6-acetyloxy-7-(acetyloxymethyl)-7-hydroxy-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate
562.60
-1.6
5
14
207.74
13
[4,5,7,12-Tetraacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] benzoate
632.70
2.8
0
13
167.03
14
[(1S,2R,4S,5R,6S,7S,8R,9R,12R)-4,5,7,12-tetraacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] benzoate
632.70
2.8
0
13
167.03
14
[(1S,2R,4S,5R,6R,7S,9R,12R)-4,5,12-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
[11-Ethyl-9,16,18-trihydroxy-6,8-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
495.60
-0.5
3
9
117.92
7
6-(6,7-dihydroxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-6H-furo[3,4-g][1,3]benzodioxol-8-one
355.30
2.1
2
7
88.46
1
Aflatoxin G1
328.27
1.8
0
7
84.2
1
10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbaldehyde
440.70
7.4
1
2
37.3
1
(1S,2R,4aS,6aS,6bR,10S,12aR,12bR,14bS)-10-Hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carbaldehyde
440.70
7.3
1
2
37.3
1
Ursolic aldehyde
440.70
7.3
1
2
37.3
1
(6aR)-1-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
265.30
3
0
2
12.47
1
Dodecyl gallate
338.40
5.8
3
5
86.99
13
methyl 3-O-beta-glucopyranosyl-gallate
346.29
-1.3
6
10
166.14
5
[3-hydroxy-2,5-bis(4-hydroxyphenyl)-4,6-bis[[(Z)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoyl]oxy]phenyl] (Z)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoate
656.60
4.4
3
12
177.18
14
[2,5-bis(4-hydroxyphenyl)-3,4,6-tris[[(Z)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoyl]oxy]phenyl] (Z)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoate
766.70
4.9
2
14
195.78
18
Spiromentin b
434.40
2
3
8
122.52
3
(2'R,3'S)-3'-hydroxy-4,7-bis(4-hydroxyphenyl)-2'-methylspiro[1,3-benzodioxole-2,6'-2,3-dihydropyran]-5,6-dione
434.40
2
3
8
122.52
2
4,7-bis(4-hydroxyphenyl)spiro[1,3-benzodioxole-2,5'-2H-furan]-5,6-dione
390.30
2.2
2
7
102.29
2
Dihydroconiferin
344.36
-1.1
5
8
128.84
7
Coeloginin
314.29
3.1
2
6
89.13
2
Flavone base + 3O, C-Pen, C-Pen
534.50
-2.1
9
13
230.74
3
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