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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Muricatocin B
|
612.90
|
7.4
|
5
|
8
|
136.68
|
26
|
|
|
(1R,2S,5R,7R,9R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol
|
220.35
|
3.6
|
1
|
1
|
20.23
|
0
|
|
|
8-Hydroxy-2-(2-phenylethyl)-chromone
|
266.29
|
3.4
|
1
|
3
|
50.44
|
3
|
|
|
(5R)-2,5-dimethyl-5,6,7,8-tetrahydroquinoline
|
161.24
|
2.8
|
0
|
1
|
12.89
|
0
|
|
|
Methyl 2-propenyl selenide
|
135.08
|
|
0
|
0
|
0
|
2
|
|
|
methyl (1S,2S,5R,8R,9R,10S,11R,12R)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate
|
362.40
|
0.6
|
2
|
6
|
93.06
|
2
|
|
|
(1S,2S,7R,8S)-2,6,6,9-tetramethyltricyclo[5.4.0.02,8]undec-9-ene
|
204.35
|
4.6
|
0
|
0
|
0
|
0
|
|
|
Lormetazepam
|
335.20
|
2.4
|
1
|
3
|
52.9
|
1
|
|
|
Yakuchinone-A
|
312.40
|
3.6
|
1
|
3
|
46.53
|
9
|
|
|
Gusanlung B
|
353.40
|
2.7
|
0
|
5
|
57.23
|
2
|
|
|
[(2R,3R,4S)-4-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
|
388.50
|
2.7
|
2
|
6
|
77.38
|
7
|
|
|
(R)-3-Methyl-1-hexanol
|
116.20
|
2.3
|
1
|
1
|
20.23
|
4
|
|
|
(1S,2R,3R)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2,3-bis(methoxymethyl)-1,2,3,4-tetrahydronaphthalene
|
416.50
|
3.8
|
0
|
6
|
55.38
|
9
|
|
|
3a,4,5,6-Tetrahydro-2-benzofuran-1,3-dione
|
152.15
|
1.1
|
0
|
3
|
43.37
|
0
|
|
|
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
454.70
|
9.4
|
0
|
2
|
26.3
|
7
|
|
|
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
454.70
|
9.4
|
0
|
2
|
26.3
|
7
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
913.10
|
2.4
|
10
|
17
|
274.75
|
8
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
797.00
|
3.5
|
9
|
14
|
236.06
|
7
|
|
|
Soyasaponin III
|
797.00
|
3.5
|
9
|
14
|
236.06
|
7
|
|
|
17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
400.70
|
8.2
|
1
|
1
|
20.23
|
5
|
|
|
(3S,9R,10R,13R,14R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
|
398.70
|
8.2
|
1
|
1
|
20.23
|
5
|
|
|
4-[(3S)-5,7-dimethoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
|
438.60
|
6.8
|
2
|
5
|
68.15
|
7
|
|
|
Bracteoline
|
327.40
|
2.2
|
2
|
5
|
62.16
|
2
|
|
|
Isoboldine
|
327.40
|
2.2
|
2
|
5
|
62.16
|
2
|
|
|
2-Vinyl-4H-1,3-dithiine
|
144.30
|
2.3
|
0
|
2
|
50.6
|
1
|
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