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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Cathasterone
|
432.70
|
6.6
|
2
|
3
|
57.53
|
5
|
|
|
(1R,2R,10R,11S,14R,15R,16S)-16-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-10,14,16-trimethyl-17-oxapentacyclo[13.2.2.01,14.02,11.05,10]nonadeca-4,6-dien-9-one
|
436.60
|
4.4
|
0
|
4
|
52.6
|
1
|
|
|
Igwhgimymcusqi-uhfffaoysa-
|
480.50
|
3.9
|
3
|
6
|
113.12
|
7
|
|
|
2-Azaniumyl-3-hydroxybutanoate
|
119.12
|
-2.3
|
2
|
3
|
88
|
1
|
|
|
(2S)-3-methyl-2-[[(2S)-2-(3-methylbut-2-enylamino)-3-phenylpropanoyl]amino]-N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]butanamide
|
470.70
|
5.3
|
3
|
5
|
111.36
|
12
|
|
|
(2S)-3-methyl-N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]butanamide
|
385.50
|
4.3
|
2
|
4
|
99.33
|
8
|
|
|
(1R,5R,6R,9R,10R,13S,14R,16R)-13-[(2R)-2-hydroxy-6-methyl-4-oxohept-5-en-2-yl]-6-(2-hydroxypropan-2-yl)-5,9,10-trimethyl-2-oxatetracyclo[7.6.1.05,16.010,14]hexadecan-3-one
|
474.70
|
5
|
2
|
5
|
83.83
|
5
|
|
|
(5R,8R,9R,10S,11R,13R,14R,17S)-11-hydroxy-17-[(2R)-2-hydroxy-6-methyl-4-oxohept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
|
472.70
|
5.7
|
2
|
4
|
74.6
|
4
|
|
|
(3aS,3bR,4R,5aR,6S,8aR,8bR,10aR)-4-hydroxy-6-[(2R)-2-hydroxy-6-methyl-4-oxohept-5-en-2-yl]-1,1,3a,8a,8b-pentamethyl-3b,4,5,5a,6,7,8,9,10,10a-decahydro-3H-indeno[5,4-e]inden-2-one
|
458.70
|
5.3
|
2
|
4
|
74.6
|
4
|
|
|
Acacetin-7-glucuronide
|
460.40
|
1.4
|
5
|
11
|
176.12
|
5
|
|
|
5,8-Dihydroxy-6,7-dimethoxyflavone
|
314.29
|
3
|
2
|
6
|
89.13
|
3
|
|
|
Lupenylpalmitat
|
663.10
|
16.8
|
0
|
2
|
26.3
|
17
|
|
|
(3S,4R,4aS,6aS,6aS,6bR,8aR,12aR,14bR)-4,4a,6a,6b,8a,11,11-heptamethyl-2,3,4,5,6,6a,7,8,9,10,12,12a,13,14b-tetradecahydro-1H-picen-3-ol
|
412.70
|
8.6
|
1
|
1
|
20.23
|
0
|
|
|
Tamaridone
|
330.29
|
2.6
|
3
|
7
|
109.36
|
3
|
|
|
(1S,2S)-2-[2-[(2S,3aR,7bS,11aS,11bR)-6-hydroxy-7b,11,11-trimethyl-5-propan-2-yl-3a,8,9,10,11a,11b-hexahydrophenanthro[9,10-d][1,3]dioxol-2-yl]-5-hydroxy-4-propan-2-ylphenyl]-2,6,6-trimethylcyclohexane-1-carbaldehyde
|
616.90
|
10.3
|
2
|
5
|
75.99
|
5
|
|
|
(6R,7R)-15-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-6-(hydroxymethyl)-2,19,19-trimethyl-5,8,18-trioxa-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),10,15,17(22),20-heptaen-13-one
|
547.60
|
4.4
|
3
|
10
|
128.84
|
4
|
|
|
(S)-2-Amino-4-ethylidene-pentanedioic acid
|
173.17
|
-2.7
|
3
|
5
|
100.62
|
4
|
|
|
5-hydroxy-3-methyl-5-[(2R)-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propyl]furan-2-one
|
468.70
|
6.1
|
1
|
4
|
63.6
|
3
|
|
|
2-[(1R)-2,2,4-Trimethylcyclopent-3-en-1-yl]ethan-1-ol
|
154.25
|
2.1
|
1
|
1
|
20.23
|
2
|
|
|
(3S,4aS,6aR,6bS,8aS,12aS,14aS,14bR)-3-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-3,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-2H-picen-1-one
|
456.70
|
6.3
|
2
|
3
|
57.53
|
1
|
|
|
11-Oxoerythrodiol
|
456.70
|
6.5
|
2
|
3
|
57.53
|
1
|
|
|
Dimethyl methylsuccinate
|
160.17
|
0.4
|
0
|
4
|
52.6
|
5
|
|
|
4H-Pyran-4-one, 2,3-dihydro-2,5-dihydroxy-6-methyl-
|
144.12
|
-0.3
|
2
|
4
|
66.76
|
0
|
|
|
Mercaptomethyl acetate
|
106.15
|
0.5
|
1
|
3
|
65.1
|
2
|
|
|
Moringin
|
311.36
|
1.9
|
3
|
7
|
123.6
|
4
|
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