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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,3R,6S,8R,11S,12S,14S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,14-diol
456.70
9
2
2
40.46
5
(2R,4R,6R,8R,9R,10R,14S,17R,19R)-2,8,10,14,18,18-hexamethyl-6-(2-methylprop-1-enyl)-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-1(13)-en-17-ol
440.70
7.3
1
2
29.46
1
(2R,4R,6R,8R,9R,10R,14S,17S,19R)-2,8,10,14,18,18-hexamethyl-6-(2-methylprop-1-enyl)-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-1(13)-en-17-ol
440.70
7.3
1
2
29.46
1
(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-5,5,6-trimethylhept-6-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
452.80
10.6
0
1
17.07
5
Cyclotrichosantol
440.70
10.6
1
1
20.23
6
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1S,4R,7R,9R,10R,13R,14R)-14-hydroxy-5,5,9,14-tetramethyl-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]oxane-3,4,5-triol
468.60
2.8
5
7
119.61
3
(3R,3'R,3a'R,4'S,7'S,7a'R)-3'-acetoxy-7',7a'-dimethyl-4-methylene-2-oxodecahydrospiro[furan-3,2'-inden]-4'-yl (2S)-2-methylbutanoate
392.50
3.5
0
6
78.9
6
CID 101306823
220.35
4.3
0
1
17.07
1
(2S,5S,9S,10R,11R,15S,18R)-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecane-7,9,10,15,18-pentol
366.40
-0.4
5
6
110.38
0
4-[hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-methyl-4,6-dihydro-3H-pyrano[3,4-c]pyran-8-one
374.34
-2.3
5
10
155.14
4
(1R,2S,5S,6R,9R,12S,13S,16S,18S)-16-[(2R,4R,5S,6S)-5-amino-4-methoxy-6-methyloxan-2-yl]oxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosane-2,6-diol
493.70
2.7
3
7
103.4
3
(1S,2S,5R,6S,8S,9S,10R)-5,6,9-trimethyltetracyclo[7.2.1.01,6.08,10]dodecan-2-ol
220.35
3.4
1
1
20.23
0
[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 3-methoxy-5-(3-methylbut-2-enyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
521.60
2.5
4
10
138.15
10
CID 101306849
364.40
-0.1
4
6
107.22
0
[(2S,5S,9S,10R,11R,15R,18R)-9,10,18-trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl] acetate
406.50
0.7
3
7
113.29
2
[(1S,4R,5S,8R,9R,12S,13R,14R,18S)-5-hydroxy-9,16-dimethyl-8-(6-oxopyran-3-yl)-15,17,20-trioxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosan-13-yl]methyl acetate
500.60
2.5
1
8
104.43
4
(1S,3E,4S,5S,6S)-4,5-dihydroxy-3-(3-methylbut-2-enylidene)-7-oxabicyclo[4.1.0]heptan-2-one
210.23
0.2
2
4
70.06
1
[(3R,3aS,5aR,6S,9aS,9bS)-3,5a-dimethyl-9-methylidene-2-oxo-3a,4,5,6,9a,9b-hexahydro-3H-benzo[g][1]benzofuran-6-yl] (Z)-2-methylbut-2-enoate
330.40
3.9
0
4
52.6
3
(3S,4R,4aS,6aS,6aS,6bR,8S,8aS,12aS,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicene-3,8-diol
444.70
8.6
2
2
40.46
0
(E)-1-[(1R,4S,13R)-9-hydroxy-1,5,5-trimethyl-6,15-dioxatetracyclo[9.3.1.04,13.07,12]pentadeca-7,9,11-trien-8-yl]-3-phenylprop-2-en-1-one
390.50
5.4
1
4
55.76
3
(1R,2S,4S,5S,9R,10S,12R,13R,14S)-5-(hydroxymethyl)-5,9,13-trimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecan-2-ol
304.50
3.9
2
2
40.46
1
(1R,2R,3R,5S,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-3-ol
220.35
3.7
1
1
20.23
0
(3aR,4S,6E,10Z,11aR)-4-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
264.32
0.6
2
4
66.76
1
Asparagoside B
596.80
3.9
6
9
149.07
7
1-[(12S,13R,18R)-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8,16-pentaen-17-yl]ethanone
336.40
2.2
0
3
34.47
1
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