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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
(1S,2S,4S,6S,7R,8S,11S)-6-ethyl-11-hydroxy-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-2'-one
344.40
0.9
2
5
71.03
2
(1R,2S,4R,6R,7S,8R,11R)-6-ethyl-11-hydroxy-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-2'-one
344.40
0.9
2
5
71.03
2
[(E,7S,11S)-3,7,11,15-tetramethylhexadec-2-enyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
556.90
14.9
0
2
26.3
28
[(2S)-3-hydroxy-2-octadeca-9,12,15-trienoyloxypropyl] icosanoate
647.00
15
1
5
72.83
37
(2R,3S,4R,5R,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-2-[[(3R,5R,7R,8R,9R,10R,13S,14R,17R)-7-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
769.00
4.5
8
12
198.76
9
(14S,15S)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8,12(20),16,18-hexaen-15-ol
281.30
0.5
2
4
50.72
0
(7S)-7-(3,4-dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-5-(3-methylbut-2-enyl)-7,8-dihydrofuro[2,3-f]chromen-9-one
452.50
4.2
3
7
109.36
5
(7R)-7-(3,4-dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-5-(3-methylbut-2-enyl)-7,8-dihydrofuro[2,3-f]chromen-9-one
452.50
4.2
3
7
109.36
5
(2R)-2-[4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid
328.31
0.1
5
8
136.68
5
(1R,5R,6S,11R,12S,14S,17S,20S,21S)-21-hydroxy-5-methyl-15-methylidene-7-oxa-10-azaheptacyclo[12.6.2.01,11.05,20.06,10.012,17.017,21]docosan-19-one
355.50
1.6
1
4
49.77
0
[(1S,4S,5S,6R,9S,10R,12S,14R)-4-[(2R)-2,3-dimethylbutanoyl]oxy-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-12-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] octanoate
588.80
4.9
3
8
130.36
13
3-[5-(3,7-Dimethylocta-2,6-dienyl)-3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one
490.60
8
4
6
111.13
8
[(1R)-2-hydroxy-1-[(9S)-5-hydroxy-4-oxo-2-phenyl-8,9-dihydrofuro[2,3-h]chromen-9-yl]-2-methylpropyl] acetate
410.40
3.1
2
7
106.2
5
[(1R)-2-hydroxy-1-[(9R)-5-hydroxy-4-oxo-2-phenyl-8,9-dihydrofuro[2,3-h]chromen-9-yl]-2-methylpropyl] acetate
410.40
3.1
2
7
106.2
5
3,4-dihydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxybenzoic acid
484.40
-0.8
9
14
243.9
7
1-(6,7-Dimethoxy-1,3-benzodioxol-4-yl)ethanone
224.21
1.4
0
5
53.99
3
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1R,3aS,5aR,5bR,7aR,8S,9R,11aS,11bR,12R,13aR,13bS)-8-formyl-9,12-dihydroxy-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
957.10
0.5
11
19
312.05
11
(8S,9S,10S,13R,14R,16S,17S)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-17-[(2S)-2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl]-16-hydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
824.90
-0.2
9
16
270.2
10
[7-Hydroxy-3-(hydroxymethyl)-10-methyl-6-methylidene-2-oxo-4,5,7,8,9,11a-hexahydrocyclodeca[b]furan-9-yl] acetate
322.40
0.2
2
6
93.06
3
[(3R,5aS,5bR,7aS,8S,11aS,11bR,13S,13aS)-8-ethyl-3,5b,8,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[2,1-e][2]benzofuran-13-yl] (3S)-3-hydroxybutanoate
500.70
7.2
1
5
72.83
5
[(3S,5aS,5bR,7aS,8S,11aS,11bR,13S,13aS)-8-ethyl-3,5b,8,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[2,1-e][2]benzofuran-13-yl] (3S)-3-hydroxybutanoate
500.70
7.2
1
5
72.83
5
9-hydroxy-3-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-2-carbaldehyde
298.29
2.1
1
5
64.99
2
1,8-dihydroxy-2-[(1R,3S)-10-hydroxy-7,9-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-6-methylanthracene-9,10-dione
540.60
6.1
3
8
122.52
3
(2R,3R,4S,5S,6R)-2-[[(1S,2S,2'S,4S,6S,7S,8R,9S,11R,12S,13R,16S)-11,16-dihydroxy-2',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,5'-oxolane]-2'-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
608.80
1.5
6
10
158.3
4
(2R,3R,4S,5S,6R)-2-[(2R)-2-[(1R,2S,2'R,4aR,4bR,6aR,7R,8S,10aR,10bR,12aS)-1-hydroxy-7-(hydroxymethyl)-4a,4b,7,10a-tetramethyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[3,4,5,6,6a,8,9,10,10b,11,12,12a-dodecahydro-1H-chrysene-2,5'-oxane]-2'-yl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
817.00
1.8
10
15
248.45
9
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