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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
[(3aS,5S,6E,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2-methylpropanoate
318.40
2.6
0
4
52.6
3
2-Ethyl-6-methylpyridine
121.18
2.1
0
1
12.89
1
Methyl 2-(1-hydroxy-4-oxocyclohexyl)acetate
186.20
0
1
4
63.6
3
methyl 2-[(1S,6S)-1,6-dihydroxy-4-oxocyclohex-2-en-1-yl]acetate
200.19
-1
2
5
83.83
3
(5S,8R)-8-(hydroxymethyl)-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
234.33
3.4
2
2
40.46
2
[(1R,4S)-7-hydroxy-6-methyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl acetate
276.40
3.9
1
3
46.53
4
(3R,4aS,5S)-3-methoxy-3,8-dimethyl-5-propan-2-yl-4,4a,5,6-tetrahydronaphthalen-2-one
248.36
2.7
0
2
26.3
2
Urospermal
278.30
-0.1
2
5
83.83
2
[(3aR,4S,6E,10Z,11aR)-6-formyl-4-hydroxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-10-yl]methyl acetate
320.30
0.5
1
6
89.9
4
(4-Hydroxy-5-methyl-2-propan-2-ylphenyl) 3-phenylpropanoate
298.40
4.7
1
3
46.53
6
(2,4-Dihydroxy-6-methyl-3-propan-2-ylphenyl) acetate
224.25
2.5
2
4
66.76
3
(3,4-Dihydroxy-5-methyl-2-propan-2-ylphenyl) acetate
224.25
2.5
2
4
66.76
3
(5-Methyl-3,6-dioxo-2-propan-2-ylcyclohexa-1,4-dien-1-yl) acetate
222.24
1.5
0
4
60.44
3
1,6,10-Trimethyl-4-oxatetracyclo[7.4.0.03,7.010,12]tridecan-5-one
234.33
3.7
0
2
26.3
0
(1R,3R,6R,7R,9R,10R,12R)-1,6,10-trimethyl-4-oxatetracyclo[7.4.0.03,7.010,12]tridecan-5-one
234.33
3.7
0
2
26.3
0
3,9,10,18-Tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
364.40
0.3
4
6
107.22
0
[(1S,2R,4S,6S,9R,13S,16S,17R)-17-formyl-10,10-dimethyl-3-methylidene-8,15-dioxo-7,14-dioxapentacyclo[7.6.2.11,4.06,16.013,17]octadecan-2-yl] acetate
402.40
1.2
0
7
95.97
3
Acetylisocupressic acid
362.50
5.2
1
4
63.6
7
16-Hydroxy-8(17),13-labdadien-15,16-olid-19-oic acid
348.40
3.1
2
5
83.83
4
(4aS,10aS)-6-ethyl-7-methoxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
300.40
5.6
0
2
26.3
2
(4aS,10aR)-6-ethyl-7-methoxy-1,1,4a-trimethyl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
300.40
4.9
0
2
26.3
2
(1R,4aR,6aR,6aR,6bR,8aR,10S,12aS,13S,14R,14aR,14bS)-14-hydroxy-10-(4-hydroxyphenoxy)-13-methoxy-1,2,6a,6b,9,9,12a-heptamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-tetradecahydro-1H-picene-4a-carboxylic acid
594.80
7.6
3
6
96.22
4
(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,7,7a,10,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysene-6,9-dione
454.70
6.3
1
3
54.37
2
(4aS,5S,6aS,6aR,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-5-ol
426.70
9.5
1
1
20.23
0
2-[2-(9-Hydroxy-6-methyl-10-methylidenespiro[4.5]decan-3-yl)propan-2-yloxy]-6-methyloxane-3,4,5-triol
384.50
1.3
4
6
99.38
3
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