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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Aculeoside B
|
1205.30
|
-1
|
11
|
27
|
393.73
|
17
|
|
|
10-Methylsulfonyldecanamide
|
249.37
|
1.7
|
1
|
3
|
85.61
|
10
|
|
|
2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol
|
219.24
|
0.7
|
3
|
5
|
86.72
|
4
|
|
|
4-Butylphenol
|
150.22
|
3.4
|
1
|
1
|
20.23
|
3
|
|
|
1,1-Dimethylcyclopentane
|
98.19
|
3.4
|
0
|
0
|
0
|
0
|
|
|
Octadecadienoic acid, (Z,Z)-
|
280.40
|
7.6
|
1
|
2
|
37.3
|
14
|
|
|
10-Deacetylbaccatin III
|
544.60
|
0.6
|
4
|
10
|
159.82
|
5
|
|
|
[(1S,3R,5S,7R,8R,9R,10R,13S,17S)-1,7-diacetyloxy-17-[(5R,6S)-5,6-dihydroxy-7,7-dimethyloxepan-3-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
|
694.90
|
6.7
|
2
|
9
|
128.59
|
8
|
|
|
(2S,3R,5S,8R,9S,10S,13S,14S,17Z)-17-ethylidene-2,3-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-16-one
|
332.50
|
3.8
|
2
|
3
|
57.53
|
0
|
|
|
cyclo[Gly-Pro-Val-Pro-Gly-Ser-Phe]
|
641.70
|
0.1
|
6
|
8
|
206.35
|
4
|
|
|
cyclo[Gly-Gly-Val-Leu-Ser-Tyr-Tyr-Pro]
|
836.90
|
1.7
|
10
|
11
|
284.7
|
8
|
|
|
cyclo[Gly-Gly-Val-Leu-Ser-Tyr-Tyr-Tyr-Pro]
|
1000.10
|
2.7
|
12
|
13
|
334.03
|
10
|
|
|
cyclo[Ala-Leu-Thr-Thr-Tyr-Gly-Ala-Pro]
|
774.90
|
0.3
|
10
|
11
|
284.7
|
6
|
|
|
cyclo[Ala-Ile-Val-Gly-Tyr-Pro-Met-Thr]
|
833.00
|
2
|
9
|
11
|
289.77
|
9
|
|
|
cyclo[Ala-Ile-Val-Gly-Tyr-Pro-Met(O)-Thr]
|
849.00
|
0.4
|
9
|
12
|
300.75
|
9
|
|
|
Olean-13(18)-en-11-one
|
424.70
|
9
|
0
|
1
|
17.07
|
0
|
|
|
(4aR,6aS,6aR,6bR,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydropicen-3-one
|
426.70
|
9.6
|
0
|
1
|
17.07
|
0
|
|
|
Alpinetin
|
270.28
|
2.5
|
1
|
4
|
55.76
|
2
|
|
|
(1S,2S,6S,11S,14S,15R,18R,20S)-20-ethoxy-8,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid
|
498.70
|
7.4
|
1
|
4
|
55.76
|
3
|
|
|
Harmanine
|
198.22
|
2.4
|
1
|
2
|
38.05
|
0
|
|
|
5,6,4'-Trihydroxy-8,3'-dimethoxyflavone
|
330.29
|
2.6
|
3
|
7
|
109.36
|
3
|
|
|
Ethylcyclopentane
|
98.19
|
3.5
|
0
|
0
|
0
|
1
|
|
|
(1aR,4R,7R,7bS)-1,1,4,7-Tetramethyl-1a,2,3,4,5,6,7,7b-octahydro-1H-cyclopropa[e]azulene
|
204.35
|
4.1
|
0
|
0
|
0
|
0
|
|
|
(1R,4R,6S,8aR)-4,8a-dimethyl-6-propan-2-yl-1,2,3,6,7,8-hexahydronaphthalene-1,4-diol
|
238.37
|
2.5
|
2
|
2
|
40.46
|
1
|
|
|
(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-2-one
|
294.40
|
3.2
|
2
|
4
|
66.76
|
10
|
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