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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
1,5-Dibromo-3-(2,4-dibromophenoxy)-2-methoxybenzene
|
515.80
|
6.2
|
0
|
2
|
18.46
|
3
|
|
|
(1R,2S,4S,5R,7S,9R)-1',9-dimethyl-2-(2-oxopropyl)spiro[10-oxa-8-azatricyclo[5.4.0.04,8]undecane-5,3'-indole]-2'-one
|
354.40
|
1.6
|
0
|
4
|
49.85
|
2
|
|
|
(1S,2R,3S,5S,6S)-2-(hydroxymethyl)-1'-methyl-3-(2-oxopropyl)spiro[8-azabicyclo[3.2.1]octane-6,3'-indole]-2'-one
|
328.40
|
0.3
|
2
|
4
|
69.64
|
3
|
|
|
(1S,2R,3S,5S,6S)-2-(hydroxymethyl)-3-(2-hydroxypropyl)-1'-methylspiro[8-azabicyclo[3.2.1]octane-6,3'-indole]-2'-one
|
330.40
|
0.7
|
3
|
4
|
72.8
|
3
|
|
|
(1S,2R,7R,9S,10S)-6-acetyl-1'-methyl-2'-oxospiro[4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-ene-10,3'-indole]-12-carbaldehyde
|
366.40
|
0.7
|
0
|
4
|
66.92
|
1
|
|
|
(1'S,2'R,3S,7'R,9'S)-6'-acetylspiro[1H-indole-3,10'-4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-ene]-2-one
|
324.40
|
0.6
|
2
|
4
|
67.43
|
1
|
|
|
(1'S,2'R,3S,7'R,9'S)-5'-methyl-2-oxospiro[1H-indole-3,10'-4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-ene]-6'-carbaldehyde
|
324.40
|
0.8
|
2
|
4
|
67.43
|
1
|
|
|
(3R,6S,8R)-6,8-dihydroxy-3,8-dimethyl-5-propan-2-yl-2,3,6,7-tetrahydroazulen-1-one
|
250.33
|
0.5
|
2
|
3
|
57.53
|
1
|
|
|
(3R,6R,8S)-6,8-dihydroxy-3,8-dimethyl-5-propan-2-yl-2,3,6,7-tetrahydroazulen-1-one
|
250.33
|
0.5
|
2
|
3
|
57.53
|
1
|
|
|
(3R,6S,8S)-6,8-dihydroxy-3,8-dimethyl-5-propan-2-yl-2,3,6,7-tetrahydroazulen-1-one
|
250.33
|
0.5
|
2
|
3
|
57.53
|
1
|
|
|
(3R,8R)-8-hydroxy-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-2,3,6,7-tetrahydroazulen-1-one
|
250.33
|
0.2
|
2
|
3
|
57.53
|
1
|
|
|
(3R,8S)-8-hydroxy-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-2,3,6,7-tetrahydroazulen-1-one
|
250.33
|
0.2
|
2
|
3
|
57.53
|
1
|
|
|
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-methoxy-6-methyl-, (S)-
|
478.40
|
0.4
|
6
|
11
|
175.37
|
5
|
|
|
[(1S,4bR,5R,6aR,10aR,10bR,12aR)-1-[(E)-hex-2-en-2-yl]-1-methoxy-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-5,6,6a,10b,11,12-hexahydronaphtho[2,1-f]isochromen-5-yl] acetate
|
512.70
|
6.3
|
0
|
6
|
78.9
|
6
|
|
|
(E)-3-[(5R,7R,8R,9R,10R,13S,17S)-7-acetyloxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]but-2-enoic acid
|
454.60
|
5.6
|
1
|
5
|
80.67
|
4
|
|
|
4-Methylidenetetradec-2-enal
|
222.37
|
6.3
|
0
|
1
|
17.07
|
11
|
|
|
(E)-2,6-Dimethyl-2,5-heptadienoic acid
|
154.21
|
2.5
|
1
|
2
|
37.3
|
3
|
|
|
(3S,5E)-2,6-Dimethyl-5,7-octadiene-2,3-diol
|
170.25
|
1.9
|
2
|
2
|
40.46
|
4
|
|
|
(E,2R,6R)-3,7-dimethyloct-3-ene-1,2,6,7-tetrol
|
204.26
|
-0.4
|
4
|
4
|
80.92
|
5
|
|
|
(E,2S,6S)-3,7-dimethyloct-3-ene-1,2,6,7-tetrol
|
204.26
|
-0.4
|
4
|
4
|
80.92
|
5
|
|
|
Pentadecadienal
|
222.37
|
6
|
0
|
1
|
17.07
|
11
|
|
|
7,7''-Di-O-methyltetrahydrohinokiflavone
|
570.50
|
5.4
|
3
|
10
|
140.98
|
6
|
|
|
(5R,8R,9R,10R,13R,14R,17S)-17-[(2S)-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
|
474.70
|
6.2
|
2
|
4
|
66.76
|
2
|
|
|
[(3R,5R,8R,9R,10R,13R,14R,17S)-17-[(2S,4R,5R)-4-chloro-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
553.20
|
7.4
|
2
|
5
|
75.99
|
4
|
|
|
[(3R,5R,8R,9R,10R,13R,14R,17S)-17-[(2S,4R,5S)-4-chloro-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
553.20
|
7.4
|
2
|
5
|
75.99
|
4
|
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