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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Bicyclo[2.2.2]oct-5-en-2-one
|
122.16
|
1.3
|
0
|
1
|
17.07
|
0
|
|
|
1,4-Cyclohexadiene, 3,3,6,6-tetramethyl-
|
136.23
|
3.9
|
0
|
0
|
0
|
0
|
|
|
1-[3-Carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]-2-hydroxypropyl]-3-hydroxyazetidine-2-carboxylic acid
|
336.30
|
-7.1
|
7
|
11
|
187.86
|
10
|
|
|
L-Phenylalanine, N-[N-(trifluoroacetyl)-L-alanyl]-, methyl ester
|
346.30
|
1.8
|
2
|
7
|
84.5
|
7
|
|
|
Procyanidin trimer T2
|
866.80
|
3.3
|
15
|
18
|
331.14
|
5
|
|
|
2,3-cis-Oligoproanthocyanidin
|
866.80
|
3.3
|
15
|
18
|
331.14
|
5
|
|
|
(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
866.80
|
3.3
|
15
|
18
|
331.14
|
5
|
|
|
Arecatannin A1
|
866.80
|
3.3
|
15
|
18
|
331.14
|
5
|
|
|
Benzene, (1-methylene-2-propenyl)-
|
130.19
|
3.9
|
0
|
0
|
0
|
2
|
|
|
5-Undecyne
|
152.28
|
5
|
0
|
0
|
0
|
5
|
|
|
(22r)-22-Hydroxycholes-terol
|
402.70
|
7
|
2
|
2
|
40.46
|
5
|
|
|
2-Methylbenzyl radical
|
105.16
|
3.1
|
0
|
0
|
0
|
0
|
|
|
Hepta-4,6-diene
|
96.17
|
3.1
|
0
|
0
|
0
|
3
|
|
|
(2R)-6-(2,4-dihydroxyphenyl)-4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one
|
370.40
|
2.7
|
4
|
7
|
120.36
|
2
|
|
|
1-Butylcyclopentene
|
124.22
|
3.4
|
0
|
0
|
0
|
3
|
|
|
2,6-Dimethylocta-2,6-diene
|
138.25
|
4.1
|
0
|
0
|
0
|
3
|
|
|
3-(Butan-2-ylidene)isobenzofuran-1(3H)-one
|
188.22
|
3.3
|
0
|
2
|
26.3
|
1
|
|
|
(4aR,5aR,8aS,13aS,15bR)-5a-hydroxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
|
350.40
|
1.8
|
1
|
4
|
53.01
|
0
|
|
|
Pleiomutinine
|
614.80
|
5.4
|
0
|
6
|
39.26
|
2
|
|
|
erythro-(7R,8S)-Dadahol B
|
668.70
|
6.1
|
4
|
11
|
161.21
|
17
|
|
|
[(3aS,4S,6R,10S,11R,11aS)-10-hydroxy-6,10-dimethyl-3-methylidene-11-(2-methylpropanoyloxy)-2,5-dioxo-3a,4,6,7,8,9,11,11a-octahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate
|
450.50
|
3.5
|
1
|
8
|
116.2
|
6
|
|
|
[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[[(1S,3R,4S,5S,6R,8R,10S,22R,23R,24R,25S,27S,29R,30S,31S,32R,34R,37R,38S,39S,40R)-4,5,23,24,30,31,38,39-octahydroxy-6,25,32-trimethyl-20-oxo-10-propyl-2,7,9,21,26,28,33,35,41-nonaoxapentacyclo[35.3.1.03,8.022,27.029,34]hentetracontan-40-yl]oxy]oxan-3-yl] (E)-2-methylbut-2-enoate
|
1055.20
|
0.2
|
10
|
24
|
347.2
|
7
|
|
|
6-[(2R)-7-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-7-(3-methylbut-2-enyl)chromen-8-ol
|
392.50
|
6
|
2
|
4
|
58.92
|
3
|
|
|
(2R)-3,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
408.50
|
5.5
|
3
|
5
|
86.99
|
5
|
|
|
3-(2,4-Dihydroxyphenoxy)-8,8-dimethylpyrano[2,3-f]chromen-4-one
|
352.30
|
3.5
|
2
|
6
|
89.13
|
2
|
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