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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1s,5r)-1-Methyl-9-azabicyclo[3.3.1]nonan-3-one
|
153.22
|
0.4
|
1
|
2
|
29.1
|
0
|
|
|
2-Hydroxyprop-2-enoic acid;2-oxopropanoic acid
|
176.12
|
|
3
|
6
|
111.9
|
2
|
|
|
Monodictyphenone
|
288.25
|
2.6
|
4
|
6
|
115.06
|
3
|
|
|
21-Hydroxy-Oligomycin
|
807.10
|
5.9
|
6
|
12
|
200.28
|
3
|
|
|
3-[(1S)-2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-1-hydroxyethyl]-2-hydroxy-2H-furan-5-one
|
334.40
|
3.8
|
2
|
4
|
66.76
|
3
|
|
|
3-[(1S)-2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-1-hydroxyethyl]-2H-furan-5-one
|
318.40
|
3.8
|
1
|
3
|
46.53
|
3
|
|
|
4-[(1S)-2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-1-hydroxyethyl]-2H-furan-5-one
|
318.40
|
4.8
|
1
|
3
|
46.53
|
3
|
|
|
3-[(1S)-2-[(1S,2R,4aR,6S,8aR)-6-hydroxy-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-1-hydroxyethyl]-2H-furan-5-one
|
334.40
|
2.5
|
2
|
4
|
66.76
|
3
|
|
|
(5S,7R,22R,24S)-11,18-dihydroxy-5,7,12,17,22,24-hexamethyl-6,23-dioxaheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3(8),10,12,14,16,18,21(26)-nonaene-9,20-dione
|
510.60
|
5.7
|
2
|
6
|
93.06
|
0
|
|
|
scutiaquinone B
|
510.60
|
5.7
|
2
|
6
|
93.06
|
0
|
|
|
3-[(3S,4R,5R,8R,9R,10R,13S,14S,15R)-13-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxycarbonyl-4,9,10-trimethyl-3,15-bis(prop-1-en-2-yl)-2,3,5,6,7,8,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]propanoic acid
|
941.10
|
2.7
|
10
|
18
|
291.82
|
14
|
|
|
schweinfurthin E
|
494.60
|
6
|
4
|
6
|
99.38
|
5
|
|
|
schweinfurthin G
|
464.60
|
6.6
|
4
|
5
|
90.15
|
4
|
|
|
Ephedroxane
|
191.23
|
1.9
|
0
|
2
|
29.54
|
1
|
|
|
5,7-Dimethoxy-4'-hydroxyflavone
|
298.29
|
1.8
|
1
|
5
|
68.9
|
3
|
|
|
12-Hydroxyrotenone
|
410.40
|
3.3
|
1
|
7
|
83.45
|
3
|
|
|
Podophyllotoxin glucoside
|
576.50
|
0.4
|
4
|
13
|
171.83
|
7
|
|
|
Methionine sulfoximine
|
180.23
|
-1.8
|
3
|
5
|
112.62
|
4
|
|
|
Niga-ichigoside F1
|
666.80
|
2.5
|
8
|
11
|
197.37
|
5
|
|
|
N-Feruloyl dopamine, trans-
|
329.30
|
1.7
|
4
|
5
|
99.02
|
6
|
|
|
cis-Caffeoyltyramine
|
299.32
|
2.4
|
4
|
4
|
89.79
|
5
|
|
|
p-Hydroxyphenylethyl p-coumarate
|
284.31
|
3.4
|
2
|
4
|
66.76
|
6
|
|
|
n-Dihydroferuloyltyramine
|
315.40
|
2
|
3
|
4
|
78.79
|
7
|
|
|
Dihydro-N-Caffeoyltyramine
|
301.34
|
2.3
|
4
|
4
|
89.79
|
6
|
|
|
gamma-Glutamylaspartic acid
|
262.22
|
-4.6
|
5
|
8
|
167.02
|
8
|
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