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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Tinocrisposide
|
536.60
|
1.2
|
4
|
11
|
165.12
|
6
|
|
|
7-acetyl-6-hydroxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
|
300.40
|
4.7
|
1
|
3
|
54.37
|
1
|
|
|
[(2S)-2-tetradecanoyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] octadecanoate
|
893.20
|
10.3
|
7
|
15
|
231.13
|
40
|
|
|
(5aS,10aR)-4-[(1S,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-1,3,5a,8-tetrahydroxy-10a-(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-one
|
708.70
|
6.3
|
8
|
12
|
214.44
|
6
|
|
|
(1S,8S,9S,16S)-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,9,12-tetrol
|
470.50
|
3.8
|
6
|
7
|
130.61
|
2
|
|
|
Apigeninidin
|
290.70
|
|
3
|
4
|
71.99
|
1
|
|
|
5-[(E)-2-[(2R,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]benzene-1,3-diol
|
454.50
|
5.4
|
5
|
6
|
110.38
|
4
|
|
|
6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
|
123.20
|
1.2
|
0
|
1
|
12.36
|
1
|
|
|
Paraquat dichloride
|
257.16
|
|
0
|
2
|
7.76
|
1
|
|
|
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]-3-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
726.60
|
-2.5
|
11
|
19
|
308.12
|
8
|
|
|
Nicotinamide adenine dinucleotide
|
662.40
|
-6.1
|
6
|
18
|
343.54
|
11
|
|
|
[(2R,3S,4S,5R,6R)-6-[(R)-cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
447.40
|
0
|
6
|
11
|
189.93
|
7
|
|
|
Cubebin dimethyl ether
|
386.40
|
4
|
0
|
6
|
55.38
|
9
|
|
|
CID 15939543
|
436.50
|
0.3
|
5
|
9
|
138.07
|
8
|
|
|
Nigragillin
|
222.33
|
1.9
|
0
|
2
|
23.55
|
2
|
|
|
(1R,2R,9S)-11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one
|
246.35
|
1.7
|
0
|
3
|
23.55
|
3
|
|
|
L-aspartate(1-)
|
132.09
|
-3.2
|
2
|
5
|
103.45
|
2
|
|
|
(5R,6S,7aS)-6-ethenyl-3,6-dimethyl-5-[3-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-en-2-yl]-4,5,7,7a-tetrahydro-1-benzofuran-2-one
|
410.50
|
0.7
|
4
|
8
|
125.68
|
6
|
|
|
Mitissimols C
|
250.33
|
1.7
|
2
|
3
|
57.53
|
0
|
|
|
3-[(3S)-7-hydroxy-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]-6-methoxybenzene-1,2-diol
|
318.32
|
2.6
|
3
|
6
|
88.38
|
3
|
|
|
(3R)-2',3',7-trihydroxy-4'-methoxyisoflavan
|
288.29
|
2.6
|
3
|
5
|
79.15
|
2
|
|
|
(6R)-5,9,11,14-tetrahydroxy-3,3-dimethyl-6-prop-1-en-2-yl-6,7-dihydrochromeno[7,6-c]xanthen-8-one
|
434.40
|
4.8
|
4
|
7
|
120.36
|
1
|
|
|
(3S,5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5R)-5-hydroperoxy-2-hydroxy-6-methylhept-6-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
476.70
|
7.6
|
3
|
4
|
69.92
|
6
|
|
|
(2S,5R)-2-[(3S,4R,5R,8R,9R,10R,13R,14R,17S)-3-hydroxy-4-(hydroxymethyl)-4,8,10,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-6-ene-2,5-diol
|
476.70
|
6.9
|
4
|
4
|
80.92
|
6
|
|
|
(1R,2R,5S,9R,10S)-5-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
|
264.36
|
1
|
1
|
3
|
43.78
|
0
|
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