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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,3bR,4R,5aR,10aR,10bR,11R,12aS)-4-hydroxy-1-[(2S,3S,5R)-5-[(1S)-1-hydroxy-2-methoxy-2-methylpropyl]-2-methoxyoxolan-3-yl]-3b,6,6,10a,12a-pentamethyl-8-oxo-1,2,4,5,5a,10b,11,12-octahydroindeno[5,4-g][2]benzoxepin-11-yl] (E)-2-methylbut-2-enoate
|
644.80
|
5
|
2
|
9
|
120.75
|
8
|
|
|
(10S,11R,12R,13S,15R)-13-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5,11,12,21,22,23-octahydroxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione
|
738.60
|
2.3
|
11
|
18
|
310.66
|
6
|
|
|
[(1S,5R,6R)-3-(hydroxymethyl)-5-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate
|
380.40
|
2.8
|
1
|
7
|
102.43
|
8
|
|
|
(2R)-9-hydroxy-5-oxo-1,2,3,4-tetrahydro-1-benzazepine-2-carboxamide
|
220.22
|
0.4
|
3
|
4
|
92.42
|
1
|
|
|
(1R,2R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-9(17)-ene-6,14-dione
|
260.33
|
-0.2
|
0
|
2
|
40.62
|
0
|
|
|
methyl (1R,12S,14R,15S,18R)-15-ethyl-12-[(1R,10S,15R,17S,18S)-17-ethyl-10-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2,4(9),5,7-tetraen-6-yl]-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
|
634.80
|
5.9
|
2
|
6
|
81.16
|
5
|
|
|
[(1R,3bR,4R,5aR,10aR,10bR,11R,12aS)-1-[(2R)-2-[(1S)-1,2-dihydroxy-2-methylpropyl]-5-oxo-2H-furan-4-yl]-4-hydroxy-3b,6,6,10a,12a-pentamethyl-8-oxo-1,2,4,5,5a,10b,11,12-octahydroindeno[5,4-g][2]benzoxepin-11-yl] (E)-2-methylbut-2-enoate
|
612.70
|
4
|
3
|
9
|
139.59
|
6
|
|
|
(4R)-4-(6-aminopurin-9-yl)-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one
|
295.30
|
0.8
|
2
|
6
|
106.92
|
1
|
|
|
(11'R,12S,13S,13'S,14E,14'R,18'E)-14'-ethyl-14-ethylidene-16'-methylspiro[1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraene-12,9'-8,16-diazapentacyclo[9.9.1.02,7.08,21.013,18]henicosa-1(21),2,4,6,18-pentaene]-17'-one
|
570.80
|
5.5
|
1
|
2
|
44.27
|
1
|
|
|
(1R,3S,5S,6R,7R,10S,11R)-5-hydroxy-3,7,12-trimethyl-2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradec-12-ene-8,14-dione
|
278.30
|
0.1
|
1
|
5
|
76.13
|
0
|
|
|
(2R)-2-[(1S)-1-hydroxy-1-[(7S,8S,9S,10R,13S,14R,17S)-7,14,17-trihydroxy-10,13-dimethyl-1-oxo-4,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
|
486.60
|
1.3
|
4
|
7
|
124.29
|
2
|
|
|
[(2R,3S,4R,6R)-6-[[(1S,2R,7S,10R,11S,13R,15R,16R,19S)-1-hydroxy-10,15,19-trimethyl-12-oxo-14-oxapentacyclo[11.5.1.02,11.05,10.016,19]nonadec-4-en-7-yl]oxy]-4-methoxy-2-methyloxan-3-yl] acetate
|
532.70
|
2.9
|
1
|
8
|
100.52
|
5
|
|
|
[(10R,11R,12R,13S,15R)-13-[2-[3-(3,4-dihydroxyphenyl)propanoyl]-3,5-dihydroxyphenoxy]-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate
|
906.70
|
3.1
|
14
|
23
|
397.65
|
9
|
|
|
(1S,13S,16S,18S)-18-methoxy-15-methyl-12-(3-methylbutyl)-5,7-dioxa-12,15-diazapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene-11,14-dione
|
412.50
|
2.8
|
0
|
5
|
68.31
|
4
|
|
|
(2R,3R,3aS,8bR)-6-hydroxy-8-methoxy-3a-methyl-5-(2-methylpropanoyl)-2-propan-2-yl-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-3-carbaldehyde
|
360.40
|
4.1
|
1
|
5
|
72.83
|
5
|
|
|
[(2R,3R,3aE,5R,8S,9E,11R,12aS)-2,5,11-trimethyl-6,12-dioxo-8-prop-1-en-2-yl-1,2,3,5,7,8,11,12a-octahydrocyclopenta[11]annulen-3-yl] acetate
|
358.50
|
3.8
|
0
|
4
|
60.44
|
3
|
|
|
(3R,11bS)-3,7,11-trihydroxy-3,9,11b-trimethyl-4-methylidene-1,2,8,9-tetrahydronaphtho[2,1-f][1]benzofuran-6-one
|
342.40
|
2.6
|
3
|
5
|
86.99
|
0
|
|
|
(4aS,10aS)-5-hydroxy-7-(2-hydroxypropyl)-2,4a-dimethyl-1-methylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10,10a-dihydro-4H-phenanthren-9-one
|
490.50
|
0.8
|
6
|
9
|
156.91
|
5
|
|
|
[(2R,3S,4S,5R,6S)-6-[2-[3-(3,4-dihydroxyphenyl)propanoyl]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
604.50
|
1.1
|
10
|
15
|
264.13
|
10
|
|
|
3-[[(3S,7S,8S,9R,10R,13R,14S,17R)-9-formyl-7-hydroxy-17-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxopropanoic acid
|
572.80
|
5.5
|
2
|
7
|
110.13
|
10
|
|
|
(1S,2R,6S,7R,9R,11R,12R,16R)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-6,12-dihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadeca-4,14-dien-3-one
|
484.60
|
1.1
|
3
|
7
|
116.59
|
2
|
|
|
(1R,2S,5R,7R,8S)-2,8-dimethyl-5-prop-1-en-2-yl-11-oxatricyclo[5.3.1.01,7]undecan-8-ol
|
236.35
|
3
|
1
|
2
|
32.76
|
1
|
|
|
(4aS,6aR,6bR,8aR,12aR,14aS,14bS)-2-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-2,6b,9,9,12a,14a-hexamethyl-10-oxo-3,4,5,6a,7,8,8a,13,14,14b-decahydro-1H-picene-4a-carboxylic acid
|
614.80
|
8.4
|
2
|
6
|
100.9
|
6
|
|
|
methyl (1R,12S,14S,15E,18R)-15-ethylidene-12-[(E)-[(13S,14E)-14-ethylidene-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraen-12-ylidene]methyl]-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
|
600.80
|
5.2
|
2
|
4
|
64.36
|
3
|
|
|
(1S,4S,5R,9S,10R,13R,14S)-5-(hydroxymethyl)-5,9-dimethyl-7-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylic acid
|
334.40
|
3.1
|
2
|
4
|
74.6
|
2
|
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