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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
Uvarimacrophin A
651.00
12.2
2
7
102.29
30
(4R)-4-[(E,3R)-3,4-dihydroxybut-1-enyl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
240.29
-0.5
3
4
77.76
3
(1R,4S,4aS,8aS)-7-isopropyl-1,4a-dimethyl-2,3,4,5,8,8a-hexahydronaphthalene-1,4-diol
238.37
2.4
2
2
40.46
1
(3S)-5,7-dihydroxyspiro[2H-chromene-3,4'-9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,6-triene]-4-one
312.27
1.6
2
6
85.22
0
(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one
434.40
-0.1
7
10
177.14
3
methyl (2R)-2-acetyloxy-2-[(1R,3R,7S,8S,9S,12R,13R)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]acetate
528.60
2.8
0
9
118.34
6
(4R)-4-hydroxy-3,5,5-trimethyl-4-[(E,3R)-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
386.40
-1
5
8
136.68
5
5-[(1S)-1-[(1R,4aR,6S,8aR)-6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
472.60
6
4
6
115.06
7
5-[(1S)-1-[(1R,4S,4aS,6S,8aR)-4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
490.60
5.3
5
7
135.29
7
5-[(1R)-1-[(1R,4S,4aS,6S,8aR)-4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
490.60
5.3
5
7
135.29
7
4-[(3R,3aS,6R,6aS)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol
388.40
2.3
2
7
86.61
5
(1R,4R,8S,10S,11R,14R)-11-ethyl-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylic acid
278.26
0.7
1
6
82.06
2
[(1S,4R,4aS,8S,8aS)-8-(hydroxymethyl)-4-[(E)-5-hydroxy-3-methylpent-3-enyl]-4a,8-dimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] benzoate
426.60
5.7
2
4
66.76
8
Nortetraphyllicine
294.40
2
2
3
35.5
0
(1S,5S,7R)-7-methyl-4,8,11-trioxatricyclo[5.3.1.01,5]undecan-3-one
184.19
0.1
0
4
44.76
0
Isoscabertopin
358.40
2.6
0
6
78.9
3
methyl (1R,4aR,7S,7aR)-5'-oxo-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4'-[(1R)-1-[(E)-3-[4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxyethyl]spiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
778.70
-1.3
8
19
286.89
13
(1S,10R,12R,13R,15R,16S,17R)-15-ethenyl-13-methyl-13-oxido-19-oxa-3-aza-13-azoniahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraene
322.40
1.9
0
3
44.65
1
[(2R,3S,4R,5R,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
490.40
1.3
6
12
196.35
6
(2S,3R)-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol
332.30
1.3
2
6
77.38
4
CID 133561926
360.40
2
2
7
94.45
6
5-(6-hydroxy-1-benzofuran-2-yl)-2-[(1R,9R)-5-hydroxy-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-11-yl]benzene-1,3-diol
442.50
4.8
4
6
103.29
2
(2R)-7-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-5-methoxy-8-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
452.50
5.9
2
6
85.22
8
[(2R,3S,4R,5R)-3-[(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-methyl-5-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aS,5S,6aS,6aR,6bS,8aS,10S,11R,12aS,14bR)-10-[(2S,3S,4R,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1255.30
-4.1
18
29
473.51
15
Grossamide K
491.50
3.5
4
7
117.48
9
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