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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,3S,6S)-6-[(1E,3E,5E,7Z,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
|
600.90
|
9.8
|
2
|
4
|
65.52
|
10
|
|
|
15-cis-Violaxanthin
|
600.90
|
9.8
|
2
|
4
|
65.52
|
10
|
|
|
(4aS,5S,8aR)-8-methyl-3-methylidene-5-propan-2-yl-2,4,4a,5,6,8a-hexahydro-1H-naphthalene
|
204.35
|
4.2
|
0
|
0
|
0
|
1
|
|
|
CID 12358784
|
400.70
|
8.8
|
1
|
1
|
20.23
|
5
|
|
|
(3R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
400.70
|
8.8
|
1
|
1
|
20.23
|
5
|
|
|
(3R,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
400.70
|
8.8
|
1
|
1
|
20.23
|
5
|
|
|
(9Z)-Canthaxanthin
|
564.80
|
11.4
|
0
|
2
|
34.14
|
10
|
|
|
epsilon-Carotene, (6S,6'S)-
|
536.90
|
13.7
|
0
|
0
|
0
|
10
|
|
|
1,4-Dicaffeoylquinic acid
|
516.40
|
1.5
|
7
|
12
|
211.28
|
9
|
|
|
d-Cytidintriphosphat
|
483.16
|
-5.6
|
7
|
14
|
299.85
|
8
|
|
|
(1S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
|
456.70
|
8.2
|
2
|
3
|
57.53
|
2
|
|
|
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
|
456.70
|
8.2
|
2
|
3
|
57.53
|
2
|
|
|
(1R,3aR,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
|
456.70
|
8.2
|
2
|
3
|
57.53
|
2
|
|
|
Bufogenin B
|
402.50
|
2.2
|
3
|
5
|
90.9
|
1
|
|
|
CID 12358997
|
411.50
|
0.5
|
2
|
8
|
105.53
|
10
|
|
|
(1R,3aR,5aR,5bR,7aR,9S,11aS,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
|
426.70
|
9.9
|
1
|
1
|
20.23
|
1
|
|
|
CID 12359079
|
432.50
|
|
2
|
7
|
115.76
|
0
|
|
|
Cyclic 3',5'-thymidine monophosphate
|
304.19
|
-1.6
|
2
|
7
|
129.66
|
1
|
|
|
1-Hydroxy-7-methoxy-3-methylanthraquinone
|
268.26
|
3.4
|
1
|
4
|
63.6
|
1
|
|
|
7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
|
256.30
|
2.7
|
1
|
3
|
38.69
|
2
|
|
|
2-Ethylquinoxaline
|
158.20
|
2
|
0
|
2
|
25.78
|
1
|
|
|
9-Methoxycamptothecin
|
378.40
|
1
|
1
|
6
|
90.65
|
2
|
|
|
4-[(E)-3-methoxyprop-1-enyl]phenol
|
164.20
|
1.9
|
1
|
2
|
29.46
|
3
|
|
|
1,2,8-Trihydroxyxanthen-9-one
|
244.20
|
2.4
|
3
|
5
|
90.9
|
0
|
|
|
Heptatriacontan-4-one
|
535.00
|
17.9
|
0
|
1
|
17.07
|
34
|
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