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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
|
464.70
|
4.7
|
4
|
5
|
97.99
|
5
|
|
|
(2R,3R,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
|
464.70
|
4.7
|
4
|
5
|
97.99
|
5
|
|
|
tris-Epibrassinolide
|
480.70
|
4.8
|
4
|
6
|
107.22
|
5
|
|
|
(1S,2R,4R,5R,7S,11S,12S,15R,16S)-15-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one
|
480.70
|
4.8
|
4
|
6
|
107.22
|
5
|
|
|
1-(1-Methylsulfanylethylsulfanyl)ethanethiol
|
168.40
|
2.9
|
1
|
3
|
89.4
|
3
|
|
|
D-Mannitol 1-phosphate
|
262.15
|
-4.7
|
7
|
9
|
177.72
|
7
|
|
|
N-Feruloylanthranilic acid
|
313.30
|
2.9
|
3
|
5
|
95.86
|
5
|
|
|
[(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (2E,4E)-6-oxohexa-2,4-dienoate
|
514.60
|
0.6
|
3
|
9
|
147.43
|
8
|
|
|
1-Phenyl-1-cyclohexene
|
158.24
|
4.5
|
0
|
0
|
0
|
1
|
|
|
5,6,10-Trimethyltricyclo[7.2.1.01,6]dodecan-10-ol
|
222.37
|
4.2
|
1
|
1
|
20.23
|
0
|
|
|
(2E)-N-(2-Hydroxyethyl)-3-(methylsulfanyl)prop-2-enamide
|
161.22
|
-0.4
|
2
|
3
|
74.63
|
4
|
|
|
(1S,2S,8aS)-1-[[(1R,4aR,8aS)-8a-(5,7-dihydroxy-4-oxochromen-2-yl)-6-methoxy-2-methyl-5,8-dioxo-4,4a-dihydro-1H-naphthalen-1-yl]methyl]-1,5,5-trimethyl-2,3,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid
|
616.70
|
5.5
|
3
|
9
|
151.34
|
5
|
|
|
1-Naphthaleneethanol
|
172.22
|
3.2
|
1
|
1
|
20.23
|
2
|
|
|
Ethyl mandelate
|
180.20
|
1.5
|
1
|
3
|
46.53
|
4
|
|
|
3,4-Dimethyl-5-pentylidenefuran-2(5H)-one
|
180.24
|
2.9
|
0
|
2
|
26.3
|
3
|
|
|
CID 13051622
|
815.30
|
15.1
|
3
|
7
|
105.45
|
25
|
|
|
Campesterol 6'-hexadecanoylglucoside
|
801.20
|
14.6
|
3
|
7
|
105.45
|
24
|
|
|
Campesteryl (6a(2)-O-palmitoyl)glucoside
|
801.20
|
14.6
|
3
|
7
|
105.45
|
24
|
|
|
[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl hexadecanoate
|
801.20
|
14.6
|
3
|
7
|
105.45
|
24
|
|
|
Guayulin D
|
370.50
|
4.2
|
1
|
4
|
55.76
|
4
|
|
|
4-(1-Hydroxypropyl)phenol
|
152.19
|
1.6
|
2
|
2
|
40.46
|
2
|
|
|
2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
578.50
|
2.4
|
10
|
12
|
220.76
|
3
|
|
|
9,10-Dihydrophenanthrene
|
180.24
|
4.5
|
0
|
0
|
0
|
0
|
|
|
Gynosaponin S
|
947.20
|
1.9
|
12
|
18
|
298.14
|
13
|
|
|
(2R,3R,4R,5R,6S)-2-butoxy-6-methyloxane-3,4,5-triol
|
220.26
|
-0.3
|
3
|
5
|
79.15
|
4
|
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