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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
methyl 3-(7-chloro-4-hydroxy-2-oxo-2H-pyrido[1,2-a]pyrimidin-3-yl)-3-cyclohexylpropanoate
|
364.80
|
2.9
|
1
|
5
|
80.9
|
5
|
|
|
(2E,7E)-9-oxodeca-2,5,7-trienoate
|
178.18
|
1.9
|
0
|
3
|
57.2
|
4
|
|
|
2,6,8-Trimethylpyrido[3,4-d]pyrimidin-4(1H)-one
|
189.21
|
0.4
|
1
|
3
|
58.64
|
0
|
|
|
4-Chloro-1-butanol
|
108.57
|
0.8
|
1
|
1
|
20.23
|
3
|
|
|
7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
|
252.23
|
-1.2
|
3
|
6
|
113.26
|
2
|
|
|
2(5H)-Furanone, 5-(hydroxymethylene)-
|
112.08
|
0.8
|
1
|
3
|
50.44
|
1
|
|
|
2,3-Dihydroxyphenazine-1-carboxylic acid
|
256.21
|
2
|
3
|
6
|
103.54
|
1
|
|
|
2-Methylpyrido[3,2-d]pyrimidin-4(3H)-one
|
161.16
|
0
|
1
|
3
|
58.64
|
0
|
|
|
5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-8-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)benzo[7]annulen-1-yl]-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
|
716.60
|
3.5
|
11
|
16
|
284.36
|
5
|
|
|
N-hydroxyl-tryptamine
|
176.21
|
1.6
|
3
|
2
|
48.05
|
3
|
|
|
6-Methylheptan-2-one
|
128.21
|
2.2
|
0
|
1
|
17.07
|
4
|
|
|
6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 5-hydroxy-
|
236.22
|
2.3
|
1
|
3
|
54.6
|
0
|
|
|
2-[[4-[(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioate
|
441.40
|
0.4
|
5
|
10
|
217.55
|
7
|
|
|
Furo(2,3-b)quinolin-7-ol, 4-methoxy-8-(3-methyl-2-butenyl)-
|
283.32
|
4.5
|
1
|
4
|
55.49
|
3
|
|
|
methyl (17S,18S,20E)-12-ethenyl-7-ethyl-20-(1-hydroxy-2-methoxy-2-oxoethylidene)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-18,23-dihydro-17H-porphyrin-2-carboxylate
|
652.70
|
4
|
2
|
10
|
152
|
10
|
|
|
Purpurin 7 dimethyl ester
|
638.70
|
3.7
|
3
|
10
|
163
|
9
|
|
|
3-Decanone
|
156.26
|
3.6
|
0
|
1
|
17.07
|
7
|
|
|
4H-3,1-Benzoxazin-4-one, 2-(4-(4-hydroxyphenyl)-1,3-butadienyl)-
|
291.30
|
3.6
|
1
|
4
|
63.33
|
3
|
|
|
Dehydroluciferin
|
278.30
|
2.6
|
2
|
7
|
139.79
|
2
|
|
|
2-amino-9-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
|
283.24
|
-1.9
|
5
|
7
|
159.51
|
2
|
|
|
(Z)-2-Hexen-1-ol
|
100.16
|
1.4
|
1
|
1
|
20.23
|
3
|
|
|
Phaeophorbide b
|
606.70
|
2
|
3
|
10
|
150.01
|
7
|
|
|
Herbacetin 7-rhamnoside
|
448.40
|
0.9
|
7
|
11
|
190.28
|
3
|
|
|
3,5,8-trihydroxy-2-(4-hydroxyphenyl)-7-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
448.40
|
0.9
|
7
|
11
|
190.28
|
3
|
|
|
3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-8-(3,4,5-trihydroxyoxan-2-yl)oxychromen-4-one
|
434.30
|
0.4
|
7
|
11
|
190.28
|
3
|
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