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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 (2S,4aS,6S,10aR,10bS)-2-(furan-3-yl)-4a-hydroxy-10b-methyl-4-oxo-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,5,6,8,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylate
538.50
-0.5
5
12
185.35
6
(1R,5R,6S,7S,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
864.80
3.3
14
18
320.14
4
(2S,3S,7S)-3-(3,5-dihydroxyphenyl)-4-hydroxy-7-(4-hydroxy-2-methoxyphenyl)-2-(4-hydroxyphenyl)-9-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-one
664.70
8.4
5
9
145.91
9
(2R,3S,7S)-3-(3,5-dihydroxyphenyl)-4-hydroxy-7-(4-hydroxy-2-methoxyphenyl)-2-(4-hydroxyphenyl)-9-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-one
664.70
8.4
5
9
145.91
9
(1R,2S,3R,4R,5S,7R,8R,12R,13S,21R)-4,12-dimethyl-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosane-3,4-diol
375.50
2.1
2
5
62.16
0
(1R,2S,3R,4S,5S,7R,8R,12R,13S,21R)-4,12-dimethyl-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosane-3,4-diol
375.50
2.1
2
5
62.16
0
[(1R,5R,8R,10R,11R,12S,14S,16R,17S)-7-(2-hydroxyethyl)-5-methyl-13-methylidene-6-oxo-9-oxa-7-azahexacyclo[8.6.2.211,14.01,8.05,17.011,16]icosan-12-yl] acetate
415.50
2.1
1
5
76.07
4
[(2R,3R,4R,5R,6R)-4-[(2S,3R,4S,5R,6S)-5-acetyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
694.70
0.7
6
16
229.36
15
[(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5S,6S)-4-acetyloxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
694.70
0.7
6
16
229.36
15
[(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-3-acetyloxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
694.70
0.7
6
16
229.36
15
[(2R,4aS,5R,8aR)-6-(dimethoxymethyl)-5-formyl-1,1,4a-trimethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl] acetate
338.40
2.3
0
5
61.83
6
methyl (1S,2R,4R,7E,9S,10S,11R)-9-acetyloxy-4-methyl-12-methylidene-10-(2-methylprop-2-enoyloxy)-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-8-carboxylate
434.40
2
0
9
117.73
7
(1R,2R,4S,6S,9S,10S,13S,16R)-2,6,16-trihydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
350.40
0.8
4
5
97.99
1
Octacosyl (z)-p-coumarate
556.90
16.1
1
3
46.53
30
[(1R,2R,3S,5S,7R,8R,12R,13R,21R)-12-methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-3-yl] acetate
399.50
3.5
0
5
48
2
Graminonea
372.40
2
2
7
94.45
4
(1R,3S,5aS,7S,9aS,9bR)-1,3-dimethoxy-7,9a-dimethyl-6-methylidene-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran
278.40
2.8
0
3
27.69
2
(1R,3R,5aS,7S,9aS,9bR)-1,3-dimethoxy-7,9a-dimethyl-6-methylidene-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran
278.40
2.8
0
3
27.69
2
[(1R,3S,5aR,7S,9aS,9bR)-1,3-dimethoxy-6,6,9a-trimethyl-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran-7-yl] acetate
338.40
2.7
0
5
53.99
4
[(1R,3R,5aR,7S,9aS,9bR)-1,3-dimethoxy-6,6,9a-trimethyl-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran-7-yl] acetate
338.40
2.7
0
5
53.99
4
15-Methyl-7,9,19,21-tetraoxa-15-azapentacyclo[15.7.0.04,12.06,10.018,22]tetracosa-1(17),4,6(10),11,18(22),23-hexaene-3,16-dione
367.40
2.4
0
6
74.3
0
8,9b-Bis(7-hydroxy-4-oxochromen-3-yl)-4,4a-dihydrodibenzofuran-3-one
506.50
3.7
2
8
127.18
2
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(3R,25S,27R)-3,25,27-trihydroxyoctacosoxy]oxane-3,4,5-triol
620.90
7.8
7
9
160.07
29
(2S,4aR,6aR,7R,10aS,10bS)-2-(furan-3-yl)-6a,10b-dimethyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4a,5,6,7,10,10a-octahydrobenzo[f]isochromen-4-one
478.50
1.3
4
9
138.82
4
(2S,3R,4S,5S)-2-[[(3S,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol
450.60
2.8
4
6
99.38
3
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