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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
[(2R,4S,5S,7S,8S)-2-[(1S)-1-bromopropyl]-5,7-dichloro-8-[(E)-pent-2-en-4-ynyl]oxocan-4-yl] acetate
426.20
4.9
0
3
35.53
6
(3S,8R,9S,10R,11S,12S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,11,12,14-tetrol
366.50
0.8
5
5
101.15
1
(4aS,5S,6S,8aR)-6-hydroxy-2,5-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydronaphthalene-1,8a-dicarbaldehyde
318.40
3.1
1
3
54.37
5
(4R,4aS)-1-acetyl-4,7-dimethyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
218.29
1.8
0
2
34.14
1
[(3R,4aR,5R,6S,6aS,10aS,10bS)-3-ethenyl-6,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] acetate
394.50
2.3
2
6
93.06
3
(3R,3aR,5aR,5bR,7aR,9R,11aR,11bR,13aS,13bS)-3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysene-9,13b-diol
444.70
8.1
2
2
40.46
1
(1R,2S,5S,6S,12R,15R)-5,14-dimethyl-3,11-dioxatetracyclo[7.5.1.02,6.012,15]pentadeca-8,13-diene-4,10-dione
260.28
1.4
0
4
52.6
0
(4R,4aS,5R,6aS,6aR,6bR,8aS,12aR,14aR,14bS)-5-hydroxy-6a-(hydroxymethyl)-4,4a,6b,8a,11,11,14a-heptamethyl-1,2,4,5,6,6a,7,8,9,12,12a,13,14,14b-tetradecahydropicene-3,10-dione
472.70
5.2
2
4
74.6
1
(4R,4aS,5R,6aS,6aR,6bR,8aR,12aR,14aR,14bS)-5-hydroxy-6a-(hydroxymethyl)-4,4a,6b,8a,11,11,14a-heptamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
458.70
7.1
2
3
57.53
1
(1aR,4R,7S,7aS,7bS)-1,1,7,7b-tetramethyl-2,4,5,6,7,7a-hexahydro-1aH-cyclopropa[a]naphthalen-4-ol
220.35
3
1
1
20.23
0
(1S,6R,8R,11S,15S,16R,19R,21R)-19-methoxy-1,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3(12)-en-8-ol
456.70
7.8
1
2
29.46
1
methyl (3R)-5-[(1S,2S,4aR,8aR)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoate
338.50
5.6
1
3
46.53
6
(7S,8R)-6'-methylspiro[6,8-dihydrocyclopenta[g][1,3]benzodioxole-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]-8-ol
353.40
2.2
1
6
60.39
0
3,4-Didehydroglabridin
322.40
3.6
2
4
58.92
1
(3S,3'R,3'aS,6'S,6aR,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,6,6a,6b,7,8,11,11a-dodecahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-5-one
427.60
2.7
2
4
58.56
0
Pentosalen
270.28
3.4
0
4
52.58
3
Unedoside
332.30
-2.4
5
9
141.37
3
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-2-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
795.00
4.5
8
14
232.9
7
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-2-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
957.10
2.7
11
19
312.05
10
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
781.00
4.7
8
13
215.83
6
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
913.10
3.2
10
17
274.75
8
5-hydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
476.40
0.5
6
11
179.28
5
[(1R,2R,3S,4S,4aR,6S,8R,8aS)-4-[(3aR,5S,6aS)-3a-hydroxy-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-5-yl]-1,6,8-trihydroxy-8-(hydroxymethyl)-3,4,8a-trimethyl-5-oxo-1,2,3,4a,6,7-hexahydronaphthalen-2-yl] (E)-3-phenylprop-2-enoate
546.60
0.7
5
10
162.98
6
(2S,3R,4S,5R)-2-[(1S,1'S,4R,4'R,5R,5'R,6'R,10'S,12'R,16'S,18'S,20'S,21'S)-2,20'-dihydroxy-1,4',6',12',17',17'-hexamethylspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-ene]-18'-yl]oxyoxane-3,4,5-triol
632.80
2.2
5
10
150.6
2
(2S,3R,4S,5R)-2-[(1S,1'S,4R,4'R,5R,5'R,6'R,10'S,12'S,13'S,16'S,18'S,20'S,21'S)-2,20'-dihydroxy-1,4',6',12',17',17'-hexamethylspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-18'-yl]oxyoxane-3,4,5-triol
634.80
2.9
5
10
150.6
2
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