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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
14beta,17alpha-Pregn-5-en-20-one, 3beta,8,12beta,14-tetrahydroxy-
|
364.50
|
0.4
|
4
|
5
|
97.99
|
1
|
|
|
methyl (E)-3-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
|
356.32
|
-1.1
|
5
|
9
|
145.91
|
6
|
|
|
methyl (E)-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
|
340.32
|
0.4
|
4
|
8
|
125.68
|
6
|
|
|
Linocinnamarin
|
340.32
|
0.4
|
4
|
8
|
125.68
|
6
|
|
|
(3S,5S,8R,9R,10S,13R,14S,17R)-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,6,7,8,10,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5-diol
|
444.70
|
8.7
|
2
|
2
|
40.46
|
4
|
|
|
(R)-(-)-Littorine
|
289.40
|
2.7
|
1
|
4
|
49.77
|
5
|
|
|
methyl 7-methyl-6-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
|
388.40
|
-1.7
|
4
|
10
|
151.98
|
5
|
|
|
N-methyl-9-oxa-3-azatricyclo[3.3.1.03,7]nonan-1-amine
|
154.21
|
-0.2
|
1
|
3
|
24.5
|
1
|
|
|
(7aR)-6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
|
196.24
|
1
|
1
|
3
|
46.53
|
0
|
|
|
Isocalendin
|
196.24
|
1
|
1
|
3
|
46.53
|
0
|
|
|
Alpha-Longipinene
|
204.35
|
4.6
|
0
|
0
|
0
|
0
|
|
|
3-Phenyl-2-propyn-1-ol
|
132.16
|
1.4
|
1
|
1
|
20.23
|
1
|
|
|
Lycodoline
|
263.37
|
1.4
|
1
|
3
|
40.54
|
0
|
|
|
(1S,12S,14S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-trien-14-ol
|
289.40
|
2
|
1
|
4
|
41.93
|
1
|
|
|
Lysergene
|
236.31
|
3
|
1
|
1
|
19.03
|
0
|
|
|
[(1R,14R,16S,20S,21S,22R)-21,22-diacetyloxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.12,6.17,11.020,24]hexacosa-2(26),3,5,7,9,11(25)-hexaen-14-yl] acetate
|
579.70
|
5.1
|
0
|
9
|
100.6
|
8
|
|
|
1H-Cyclopropa[a]naphthalene, 1a,2,3,3a,4,5,7a,7b-octahydro-1,1,3a,7-tetramethyl-
|
204.35
|
4.6
|
0
|
0
|
0
|
0
|
|
|
(1aR,3aS,7aS,7bR)-1,1,3a,7-tetramethyl-2,3,4,5,7a,7b-hexahydro-1aH-cyclopropa[a]naphthalene
|
204.35
|
4.6
|
0
|
0
|
0
|
0
|
|
|
1,3,3,8-Tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecane
|
222.37
|
4.1
|
0
|
1
|
9.23
|
0
|
|
|
Methyl 18-(acetyloxymethyl)-14-methyl-12-azahexacyclo[10.6.1.11,4.010,18.015,19.07,20]icos-7(20)-ene-3-carboxylate
|
413.50
|
2.7
|
0
|
5
|
55.84
|
5
|
|
|
(1S,13R,16S,18R)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-11-one
|
329.30
|
2
|
0
|
6
|
57.23
|
1
|
|
|
6-(8-Carboxy-2-hydroxy-4b,8-dimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl)-7-hydroxy-1,4a-dimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
|
630.90
|
10.2
|
4
|
6
|
115.06
|
5
|
|
|
(1S,4aS,10aR)-6-[(4bS,8S,8aR)-8-carboxy-2-hydroxy-4b,8-dimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]-7-hydroxy-1,4a-dimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
|
630.90
|
10.2
|
4
|
6
|
115.06
|
5
|
|
|
Madagascarin
|
538.50
|
5.1
|
6
|
10
|
189.66
|
1
|
|
|
(2beta,3beta,5alpha,6beta,25R)-Spirostan-2,3,6-triol
|
448.60
|
4.2
|
3
|
5
|
79.15
|
0
|
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