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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3S)-7-(5-hydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol
|
391.50
|
4.5
|
2
|
5
|
71.28
|
3
|
|
|
Phaeophytin A
|
871.20
|
11.7
|
2
|
9
|
121.94
|
22
|
|
|
1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-4,9-dihydro-3H-pyrido[3,4-b]indol-6-ol
|
473.60
|
4.8
|
2
|
5
|
70.08
|
5
|
|
|
Ethyl 3,5-dimethoxy-4-hydroxycinnamate
|
252.26
|
2.2
|
1
|
5
|
64.99
|
6
|
|
|
Glycosminine
|
236.27
|
2.3
|
1
|
2
|
45.75
|
2
|
|
|
7-Hydroxyquinoline
|
145.16
|
2
|
1
|
2
|
33.12
|
0
|
|
|
(E)-3-(3-carbamimidoyl-4-hydroxyphenyl)prop-2-enoic acid
|
206.20
|
1
|
4
|
4
|
107.4
|
3
|
|
|
Bis(4-hydroxyphenyl)methanol
|
216.23
|
2
|
3
|
3
|
60.69
|
2
|
|
|
2-[[4-(3-Amino-1-oxo-2,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-8-yl)benzoyl]amino]pentanedioate
|
455.40
|
0.8
|
4
|
10
|
199.64
|
5
|
|
|
Isaindigotone
|
350.40
|
2.6
|
1
|
5
|
73.58
|
3
|
|
|
1-Methyl-3-nitro-1-nitrosoguanidine
|
147.09
|
0.1
|
2
|
5
|
111.69
|
2
|
|
|
Pegamine
|
204.22
|
0.3
|
2
|
3
|
65.98
|
3
|
|
|
3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine
|
203.24
|
1.3
|
2
|
2
|
70.35
|
2
|
|
|
Dopaxanthin
|
390.30
|
0.8
|
6
|
10
|
176.75
|
7
|
|
|
Humilixanthin
|
326.30
|
-0.4
|
5
|
9
|
156.52
|
8
|
|
|
Miraxanthin-I
|
358.37
|
-0.9
|
4
|
10
|
172.57
|
8
|
|
|
Miraxanthin-II
|
326.26
|
-0.9
|
5
|
10
|
173.59
|
7
|
|
|
Miraxanthin-III
|
330.33
|
1.4
|
4
|
7
|
119.22
|
6
|
|
|
Portulacaxanthin II
|
374.30
|
1.2
|
5
|
9
|
156.52
|
7
|
|
|
Portulacaxanthin III
|
268.22
|
-0.4
|
4
|
8
|
136.29
|
5
|
|
|
Gentianaine
|
141.12
|
-0.2
|
2
|
4
|
70.38
|
1
|
|
|
3,4,5-trihydroxy-1,8-bis(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-6-one
|
564.50
|
2.4
|
9
|
12
|
217.6
|
2
|
|
|
3-(3,4-dihydroxyphenyl)-7-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-one
|
632.60
|
-2.4
|
8
|
15
|
242.11
|
6
|
|
|
Iodinin
|
244.20
|
1
|
2
|
4
|
94.34
|
0
|
|
|
2-Hydroxyphenazine
|
196.20
|
2.5
|
1
|
3
|
46.01
|
0
|
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