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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
naphtho[2,1-b]furan-1(2H)-one
|
184.19
|
2.7
|
0
|
2
|
26.3
|
0
|
|
|
2(R), 4(R)-dihydroxypyrrolidine
|
163.17
|
-1.8
|
5
|
5
|
92.95
|
2
|
|
|
(2S)-5-hydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
|
338.40
|
5
|
1
|
4
|
55.76
|
4
|
|
|
10-[[3-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-18-hydroxy-6,10,14,15,20,20-hexamethyl-21-oxahexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-22-one
|
929.10
|
1.6
|
10
|
18
|
283.98
|
10
|
|
|
10-[[3-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-18-hydroxy-6,10,14,15,20,20-hexamethyl-21-oxahexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-22-one
|
767.00
|
3.8
|
7
|
13
|
204.83
|
7
|
|
|
Oxychelerythrine
|
363.40
|
3.6
|
0
|
5
|
58.92
|
2
|
|
|
[6-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate
|
490.40
|
1.4
|
6
|
12
|
196.35
|
5
|
|
|
Lupinisoflavone K
|
436.50
|
3.9
|
3
|
7
|
109.36
|
2
|
|
|
Lupinisoflavone L
|
436.50
|
3.9
|
3
|
7
|
109.36
|
2
|
|
|
Lupinisoflavone M
|
456.50
|
2.6
|
5
|
8
|
140.59
|
5
|
|
|
Lupinisoflavone N
|
472.50
|
2.2
|
6
|
9
|
160.82
|
5
|
|
|
2-(methylamino)-N-[(10E)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-phenylpropanamide
|
520.70
|
4.8
|
4
|
5
|
108.56
|
8
|
|
|
(E)-N-[(10E)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-phenylprop-2-enamide
|
489.60
|
5.3
|
3
|
4
|
96.53
|
6
|
|
|
2-(dimethylamino)-N-[(10E)-7-(1-hydroxy-2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-phenylpropanamide
|
550.70
|
4.8
|
4
|
6
|
120
|
8
|
|
|
(2E)-trideca-2,12-dien-4,6,8,10-tetraynal
|
178.19
|
2.5
|
0
|
1
|
17.07
|
4
|
|
|
[(2E)-trideca-2,12-dien-4,6,8,10-tetraynyl] acetate
|
222.24
|
3
|
0
|
2
|
26.3
|
6
|
|
|
(2E)-trideca-2,12-dien-4,6,8,10-tetrayn-1-ol
|
180.20
|
2.4
|
1
|
1
|
20.23
|
4
|
|
|
(2E,10E)-trideca-2,10,12-trien-4,6,8-triynal
|
180.20
|
2.8
|
0
|
1
|
17.07
|
4
|
|
|
[(2E,10E)-trideca-2,10,12-trien-4,6,8-triynyl] acetate
|
224.25
|
3.2
|
0
|
2
|
26.3
|
6
|
|
|
(2E,10E)-trideca-2,10,12-trien-4,6,8-triyn-1-ol
|
182.22
|
2.7
|
1
|
1
|
20.23
|
4
|
|
|
(6R,8R)-8-methyl-5,6,7,8-tetrahydronaphthalene-1,3,6-triol
|
194.23
|
1.6
|
3
|
3
|
60.69
|
0
|
|
|
Aloe-emodin-glucoside
|
432.40
|
0.2
|
6
|
10
|
173.98
|
4
|
|
|
3,5-Dihydroxy-7-methoxy-2-(2,3,4-trihydroxyphenyl)chromen-4-one
|
332.26
|
1.5
|
5
|
8
|
140.59
|
2
|
|
|
isobutyryl(-3)[isobutyryl(-4)][decanoyl(-6)]Glc(a1-2b)Fruf
|
636.70
|
3.6
|
5
|
14
|
207.74
|
21
|
|
|
2,6-Dimethoxy-3-methyl-9H-carbazole
|
241.28
|
3.7
|
1
|
2
|
34.25
|
2
|
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