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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
methyl (1S,4aS,5R,8aS)-1,4a-dimethyl-6-methylidene-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
|
316.50
|
6.3
|
0
|
2
|
26.3
|
6
|
|
|
(1S,2S,4R,7E,11S,12S)-4,8,12-trimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
|
250.33
|
2.4
|
0
|
3
|
38.83
|
0
|
|
|
11beta,13-Dihydroparthenolide
|
250.33
|
2.4
|
0
|
3
|
38.83
|
0
|
|
|
Pyrayachinon-A
|
293.30
|
3.2
|
1
|
3
|
59.16
|
0
|
|
|
3,3,8-trimethyl-11H-pyrano[3,2-a]carbazole-7,10-dione
|
293.30
|
3.2
|
1
|
3
|
59.16
|
0
|
|
|
(1S,4S,4aR)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,7-hexahydronaphthalene
|
204.35
|
4.5
|
0
|
0
|
0
|
1
|
|
|
[(3aR,4R,6aR,9S,9aR,9bR)-9-methyl-3,6-dimethylidene-2,8-dioxo-3a,4,5,6a,7,9,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-[[(E)-4-hydroxy-2-methylbut-2-enoyl]oxymethyl]but-2-enoate
|
474.50
|
0.6
|
2
|
9
|
136.43
|
9
|
|
|
(6aR,7R,8S,10aS)-7-[(2S)-2-(furan-3-yl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-7,8-dimethyl-1,5,6,6a,8,10-hexahydrobenzo[d][2]benzofuran-3,9-dione
|
506.50
|
0.7
|
4
|
10
|
155.89
|
6
|
|
|
(6aR,7R,8S,10aS)-7-[(2R)-2-(furan-3-yl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-7,8-dimethyl-1,5,6,6a,8,10-hexahydrobenzo[d][2]benzofuran-3,9-dione
|
506.50
|
0.7
|
4
|
10
|
155.89
|
6
|
|
|
6-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylheptane-2,3,4-triol
|
476.70
|
5.8
|
4
|
4
|
80.92
|
5
|
|
|
Hispidol B
|
476.70
|
5.8
|
4
|
4
|
80.92
|
5
|
|
|
1-Methyl-2-nonylquinolin-4(1H)-one
|
285.40
|
6.1
|
0
|
2
|
22
|
8
|
|
|
(3aS,6S,6aR,7R,9aS,9bR)-6a,7-dihydroxy-6,9a-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-azuleno[8,7-b]furan-2,9-dione
|
280.32
|
0.3
|
2
|
5
|
83.83
|
0
|
|
|
3,6,6-Trimethylbicyclo[3.1.0]hexane-3-carbaldehyde
|
152.23
|
2
|
0
|
1
|
17.07
|
1
|
|
|
(6S)-6-(2-hydroxypropan-2-yl)-3-methylcyclohex-2-en-1-one
|
168.23
|
1.3
|
1
|
2
|
37.3
|
1
|
|
|
6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hepta-1,5-dien-4-one
|
218.33
|
4.1
|
0
|
1
|
17.07
|
4
|
|
|
(1S,8S,14S,17R)-5,12-dimethyl-5,9-diazatetracyclo[8.7.0.01,14.08,17]heptadeca-9,11-dien-16-one
|
272.40
|
0.7
|
0
|
3
|
32.67
|
0
|
|
|
2-(4-Methoxyfuro[2,3-b]quinolin-2-yl)propan-2-ol
|
257.28
|
2.4
|
1
|
4
|
55.49
|
2
|
|
|
(2S)-3-(1H-indol-3-yl)-2-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]propanoic acid
|
396.50
|
2.4
|
3
|
4
|
99.26
|
9
|
|
|
N-Cucurbinoyltryptophan
|
398.50
|
2.7
|
4
|
4
|
102.42
|
9
|
|
|
1,5-dihydroxy-8,8,11a-trimethyl-3-oxo-6,7,7a,9,10,11-hexahydro-1H-naphtho[1,2-e][2]benzofuran-4-carbaldehyde
|
344.40
|
4.5
|
2
|
5
|
83.83
|
1
|
|
|
(1S,7aS,11aS)-1,5-dihydroxy-8,8,11a-trimethyl-3-oxo-6,7,7a,9,10,11-hexahydro-1H-naphtho[1,2-e][2]benzofuran-4-carbaldehyde
|
344.40
|
4.5
|
2
|
5
|
83.83
|
1
|
|
|
6-[[4,4,6a,6b,11,11,14b-Heptamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
957.10
|
2.7
|
11
|
19
|
312.05
|
10
|
|
|
2-[(1R,4R,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]prop-2-enoic acid
|
234.33
|
3.8
|
1
|
2
|
37.3
|
2
|
|
|
6,9-dimethyl-3-methylidene-4,5,6,6a,7,8-hexahydro-3aH-benzo[h][1]benzofuran-2-one
|
232.32
|
3.1
|
0
|
2
|
26.3
|
0
|
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