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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(25R)-3-beta-Hydroxy-5-alpha-spirostan-12-one
|
430.60
|
4.8
|
1
|
4
|
55.76
|
0
|
|
|
(2S,4aS,6aS,6bR,8aR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
|
470.70
|
6.4
|
2
|
4
|
74.6
|
1
|
|
|
(2R,3R,4R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid
|
358.30
|
-5
|
9
|
12
|
217.6
|
8
|
|
|
(7S,7aR,12bS)-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
|
271.31
|
0.3
|
3
|
4
|
61.72
|
0
|
|
|
Prostaglandin E-2
|
352.50
|
2.8
|
3
|
5
|
94.83
|
12
|
|
|
S-Petasin
|
334.50
|
4.1
|
0
|
4
|
68.67
|
5
|
|
|
Quercitrin hydrate
|
466.40
|
|
8
|
12
|
221.78
|
3
|
|
|
Sedoheptulose anhydride monohydrate
|
210.18
|
|
5
|
7
|
130.88
|
1
|
|
|
(5S)-17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
416.70
|
10.2
|
1
|
1
|
20.23
|
6
|
|
|
Tyloxapol, nonionic surfactant
|
298.40
|
|
3
|
4
|
77.76
|
4
|
|
|
CID 16220051
|
816.90
|
-0.3
|
11
|
16
|
311.82
|
19
|
|
|
(Z)-3-Hexenyl Angelate
|
182.26
|
3.1
|
0
|
2
|
26.3
|
6
|
|
|
cis-3-Hexenyl crotonate
|
168.23
|
2.7
|
0
|
2
|
26.3
|
6
|
|
|
calenduloside G6'-O-methyl ester
|
809.00
|
4.9
|
7
|
14
|
221.9
|
8
|
|
|
Pisiferic acid
|
316.40
|
5.2
|
2
|
3
|
57.53
|
2
|
|
|
Hexadecyldimethylamine
|
269.50
|
8
|
0
|
1
|
3.24
|
15
|
|
|
(4S,15R,16R,18S)-15-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-5,7,9,11-tetraen-4-ol
|
312.40
|
1.6
|
1
|
4
|
48.36
|
1
|
|
|
3-(4-Hydroxyphenyl)Propanamide
|
165.19
|
0.5
|
2
|
2
|
63.32
|
3
|
|
|
(1S,4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
|
390.34
|
-3.8
|
7
|
11
|
186.37
|
5
|
|
|
Propyl 2-methylbutyrate
|
144.21
|
2.4
|
0
|
2
|
26.3
|
5
|
|
|
Norpseudoephedrine
|
151.21
|
0.8
|
2
|
2
|
46.25
|
2
|
|
|
(2S,3R,4R,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
463.40
|
|
7
|
10
|
180.6
|
5
|
|
|
5-Ethyl-2,4-dimethylthiazole
|
141.24
|
2.6
|
0
|
2
|
41.13
|
1
|
|
|
Aloenin
|
410.40
|
0
|
5
|
10
|
159.05
|
5
|
|
|
(R)-3,5,9-Trioxa-4-phosphahentriacont-22-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxo-13-docosenyl)oxy]-, 4-oxide
|
898.30
|
18.1
|
0
|
8
|
121
|
50
|
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