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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
(4aR,6aS,10aR,10bR)-3,4a,7,7,10a-pentamethyl-1,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromene
262.40
5.7
0
1
9.23
0
methyl (1S,4aS,5R,8aS)-5-[(3S)-5-methoxy-3-methyl-5-oxopentyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
364.50
5.4
0
4
52.6
8
Pachyrrhizin
336.30
3.7
0
6
71.04
2
[(1R,4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (E)-2-methylbut-2-enoate
548.60
2.2
1
10
137.96
11
(3R,3aR,5aS,5bR,7aR,11aR,11bR)-3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13-dodecahydro-1H-cyclopenta[a]chrysen-9-one
424.70
8.4
0
1
17.07
1
(3R,4aR,6aR,6aS,6bR,8aR,12aS)-3-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12-decahydro-1H-picene-4a-carboxylic acid
468.70
5.5
2
4
74.6
1
(3R,4aR,6aR,6aS,6bR,8aR,10R,12aS)-3,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-4a-carboxylic acid
470.70
5.8
3
4
77.76
1
(2R,3'S,3aR,5R,5'S,6aR)-3'-bromo-5'-[(1R)-1-bromopropyl]-2-[(1R)-1-bromoprop-2-ynyl]spiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,2'-oxolane]
487.00
3.9
0
3
27.69
3
Hopane-3beta,22-diol
444.70
8.4
2
2
40.46
1
(3R,4aR,5S)-4a,5-dimethyl-3-prop-1-en-2-yl-1,3,4,5,6,7-hexahydronaphthalen-2-one
218.33
3.8
0
1
17.07
1
(3S,4aR,6aS,6aR,6bR,10S,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-2,3,4a,5,6,6a,7,9,10,13,14,14a-dodecahydro-1H-picene-3,10-diol
426.70
6.9
2
2
40.46
0
[(3S,8R,9S,10R,11S,12S,13S,14S,17S)-17-acetyl-12-acetyloxy-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl] 3-methylbutanoate
490.60
2.9
2
7
110.13
7
[(3aR,4R,6S,6aS,7R,9aR,9bR)-7-acetyloxy-6-(chloromethyl)-6-hydroxy-9-methyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-4-hydroxy-2-methylbut-2-enoate
454.90
1
2
8
119.36
7
[(1R,2S,3R,4S,7R,9S,10S,11R,12R,15S)-4,9,11,12,15-pentaacetyloxy-1-hydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] hexanoate
708.80
2.5
1
14
187.26
16
(1S,2R,4S,5R,6S,7S,8R,9R,12R)-6-(hydroxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecane-4,5,7,8,12-pentol
318.36
-1.8
6
7
130.61
1
[(1S,2S,6S,9S,11R,12R,13S,14S,15S,16R,18S,19S,22S,23S,25R)-10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-13-[(2R)-2-methylbutanoyl]oxy-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] (2S)-2-hydroxy-2-methylbutanoate
693.90
2
6
12
186.45
8
(3aS,4S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3-(2-ethoxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-2,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysene-3,4,9-triol
504.80
6.7
3
4
69.92
3
[(2S)-1-[[(2R,13bS)-2,11-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-12-yl]oxy]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-trimethylazanium
528.70
4.1
1
5
63.79
8
Alangidiol
444.70
8.1
2
2
40.46
1
(1S,2S,5S,6S,7R,10S)-2-formyl-10-[(Z)-16-hydroxyhexadec-9-enoyl]oxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.01,5]undec-8-ene-8-carboxylic acid
532.70
5.3
3
7
121.13
19
(3aS,5R,5aR,8aS,9aR)-8a-methyl-1-methylidenespiro[4,5a,6,7,9,9a-hexahydro-3aH-azuleno[6,7-b]furan-5,2'-oxirane]-2,8-dione
262.30
1.1
0
4
55.9
0
[(9R,12R,13Z,16S,17S,18R)-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-yl] 3,4,5-trimethoxybenzoate
502.60
4.3
0
7
60.47
6
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,18S)-15,19-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10,16-dione
460.60
2.5
2
6
93.06
0
[(3S,8R,9S,10R,11S,12S,13S,14R,17S)-3,12,14-trihydroxy-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl] 3-methylbut-2-enoate
448.60
2.8
4
6
107.22
4
[(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] 3,4-dimethoxybenzoate
528.50
-1.1
6
13
193.83
8
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