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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Apremilast
|
460.50
|
1.8
|
1
|
7
|
127.46
|
8
|
|
|
(3R)-6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one
|
488.40
|
-1.5
|
7
|
13
|
204.83
|
6
|
|
|
(1R,2S,3R,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide
|
505.60
|
2.8
|
2
|
7
|
97.69
|
6
|
|
|
Ferrugicadinol
|
506.80
|
9.5
|
2
|
2
|
40.46
|
4
|
|
|
[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl benzoate
|
568.50
|
2
|
7
|
13
|
216.58
|
7
|
|
|
Formosadimer A
|
598.90
|
12
|
1
|
3
|
38.69
|
5
|
|
|
[(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromen-6-yl]oxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 4-methoxybenzoate
|
622.60
|
0.2
|
6
|
15
|
220.13
|
10
|
|
|
1,3-Dimethylcyclohexane
|
112.21
|
3.8
|
0
|
0
|
0
|
0
|
|
|
bis[(4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl] (1S,2S,3S,4R)-2-[(E)-5-[[(4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]oxy]-3-methyl-5-oxopent-3-enyl]-4-(4-hydroxy-3-methoxyphenyl)-1-methylcyclobutane-1,3-dicarboxylate
|
888.20
|
9.8
|
1
|
11
|
118.08
|
14
|
|
|
(1S,4R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]oct-5-ene
|
152.23
|
1.9
|
0
|
1
|
9.23
|
0
|
|
|
(-)-Elema-1,3,11(13)-trien-12-ol
|
220.35
|
4.9
|
1
|
1
|
20.23
|
4
|
|
|
(S)-(4-methoxy-1,3-benzodioxol-5-yl)-phenylmethanol
|
258.27
|
2.5
|
1
|
4
|
47.92
|
3
|
|
|
(1S,2S,4aR,4bS,7S,8aS,10aS)-7-ethenyl-4b,7,10a-trimethylspiro[2,3,4,4a,5,6,8,8a,9,10-decahydrophenanthrene-1,2'-oxirane]-2-ol
|
304.50
|
4.9
|
1
|
2
|
32.76
|
1
|
|
|
Helioscopinolide E
|
314.40
|
2.9
|
0
|
3
|
43.37
|
0
|
|
|
Przewalskin C
|
330.50
|
4.6
|
2
|
3
|
49.69
|
2
|
|
|
Sugikurojin F
|
330.50
|
4.3
|
0
|
3
|
43.37
|
2
|
|
|
N-[(2E,6E,11Z)-3,7,11,15-tetramethyl-13-oxohexadeca-2,6,11-trienyl]formamide
|
333.50
|
5.7
|
1
|
2
|
46.17
|
12
|
|
|
3',3'-Dimethylpyrano[3',4']2,4,2'-Trihydroxychalcone
|
338.40
|
4.1
|
3
|
5
|
86.99
|
3
|
|
|
5,6,9-Trihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
|
348.40
|
3.6
|
4
|
5
|
97.99
|
2
|
|
|
1-Propanone, 1-[2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-2-methyl-
|
358.34
|
0.1
|
6
|
9
|
156.91
|
5
|
|
|
(1S,2R,3R,9S,10S)-1,10-dihydroxy-12-methyl-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.13,6]pentadeca-6(15),11-diene-5,13-dione
|
360.40
|
2.3
|
2
|
6
|
93.06
|
2
|
|
|
3-Methylcyclohexanone
|
112.17
|
1.4
|
0
|
1
|
17.07
|
0
|
|
|
(E)-4-[(3R,4S)-4-hydroxy-2,6,6-trimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexen-1-yl]but-3-en-2-one
|
386.40
|
-1.1
|
5
|
8
|
136.68
|
5
|
|
|
Bilagrewin
|
402.40
|
2
|
2
|
8
|
103.68
|
7
|
|
|
Flueggenine A
|
406.50
|
0.6
|
0
|
6
|
59.08
|
1
|
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