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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
methyl (1S,4aS,6S,7R,7aS)-6-[(2S,3R,4S)-4-(2-acetyloxyethyl)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carbonyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
790.80
-1.7
8
20
296.12
16
methyl (1R,4aS,6S,7R,7aS)-6-[(2S,3R,4S)-3-ethenyl-4-(2-oxoethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carbonyl]oxy-1-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
584.60
-1
5
14
207.74
11
Sylvestroside I
748.70
-2.3
9
19
290.05
14
methyl 2-[3-[2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1H-indol-2-yl]prop-2-enoate
338.40
3.8
1
3
45.33
7
(Z)-2-[2-[(1R,4aS,6R,8aS)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]but-2-ene-1,4-diol
322.50
3.3
3
3
60.69
5
[(3aR,4S,4aS,5S,8R,8aR,9aS)-5,8-dihydroxy-5,8a-dimethyl-3-methylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
364.40
2.2
2
6
93.06
3
[(1R,2R,4R,6R,8S,9Z,11R)-8-hydroxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] 2-methylpropanoate
350.40
1.7
1
6
85.36
3
(6R)-10-hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4(8),9,14,16,18-heptaene-12,21-dione
422.40
4.3
1
8
108.34
3
Variegatic acid
372.30
1.2
6
9
164.75
3
(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-[(2S)-1-hydroxypropan-2-yl]-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
444.70
8.7
2
2
40.46
2
(3R,3aR,4aR,5S,9aR)-3,4a,5-trimethyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f][1]benzofuran-2-one
234.33
3.5
0
2
26.3
0
[6-(Furan-3-yl)-16-hydroxy-12-(2-methoxy-2-oxoethyl)-7,11,13,13-tetramethyl-18-(2-methylbutanoyloxy)-4-oxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011,16]octadec-2-en-14-yl] 2-methylbutanoate
670.80
4.9
1
11
147.8
12
[6-(Furan-3-yl)-16-hydroxy-12-(2-methoxy-2-oxoethyl)-7,9,13,13-tetramethyl-18-(2-methylbutanoyloxy)-4-oxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011,16]octadecan-14-yl] 2-methylbutanoate
672.80
5.4
1
11
147.8
12
[6-(Furan-3-yl)-15,16-dihydroxy-12-(2-methoxy-2-oxoethyl)-7,9,13,13-tetramethyl-18-(2-methylbutanoyloxy)-4-oxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011,16]octadec-2-en-14-yl] 2-methylbutanoate
686.80
3.9
2
12
168.03
12
[(3aR,4S,9aS,9bR)-6,9-dimethyl-3-methylidene-2-oxo-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] acetate
288.34
1.7
0
4
52.6
2
(1S,2R,4R,6R,7R,8S,9R,12S)-2,8-dihydroxy-6-(hydroxymethyl)-7-methyl-12-propan-2-yl-5,10-dioxatetracyclo[7.2.1.02,7.04,6]dodecan-11-one
298.33
-0.5
3
6
99.52
2
Cyclomammein
388.50
3.9
2
6
96.97
6
(1R,2R,5S,6S)-3-(3-methylbut-2-enyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
196.24
0.4
2
3
52.99
2
(1R,3R,7S,8R)-N-methyl-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-amine
154.21
-0.4
1
3
24.5
1
(1R,2S,5S,9R,12S,13S,16S,18S)-16-[(2R,4S,5R,6R)-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,5S,7R,10S)-2-formyl-6,6-dimethyl-10-[(9R,10R)-9,10,16-trihydroxyhexadecanoyl]oxytricyclo[5.3.1.01,5]undec-8-ene-8-carboxylic acid
550.70
4.4
4
8
141.36
19
(9R,12R,13Z,16S,17S)-13-ethylidene-6-methoxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-trien-18-one
336.40
1.9
0
4
32.78
1
methyl (2R,5S,8S,10R,11R)-17-hydroxy-2,5,8,11,12,18-hexamethyl-7,16-dioxopentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),12,14,17,19-pentaene-8-carboxylate
462.60
3.8
1
5
80.67
2
Sanguisorbigenin
454.70
6.1
2
3
57.53
1
(1R,2S,3'R,4S,5'R,6S,7S,8R,9S,12S,13R,16S,18S,19S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-3',16,19-triol
448.60
4.2
3
5
79.15
0
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