Alternatived Products of [ 27159-32-6 ]
Product Details of [ 27159-32-6 ]
CAS No. : 27159-32-6
MDL No. : MFCD00014404
Formula :
C10 H15 NO
Boiling Point :
-
Linear Structure Formula : -
InChI Key : IVPPRWDCTCLFSP-UHFFFAOYSA-N
M.W :
165.23
Pubchem ID : 97731
Synonyms :
Calculated chemistry of [ 27159-32-6 ]
Physicochemical Properties
Num. heavy atoms :
12
Num. arom. heavy atoms :
6
Fraction Csp3 :
0.4
Num. rotatable bonds :
4
Num. H-bond acceptors :
2.0
Num. H-bond donors :
2.0
Molar Refractivity :
49.79
TPSA :
32.26 Ų
Pharmacokinetics
GI absorption :
High
BBB permeant :
Yes
P-gp substrate :
No
CYP1A2 inhibitor :
No
CYP2C19 inhibitor :
No
CYP2C9 inhibitor :
No
CYP2D6 inhibitor :
No
CYP3A4 inhibitor :
No
Log Kp (skin permeation) :
-6.46 cm/s
Lipophilicity
Log Po/w (iLOGP) :
2.26
Log Po/w (XLOGP3) :
1.2
Log Po/w (WLOGP) :
1.01
Log Po/w (MLOGP) :
1.56
Log Po/w (SILICOS-IT) :
1.74
Consensus Log Po/w :
1.55
Druglikeness
Lipinski :
0.0
Ghose :
None
Veber :
0.0
Egan :
0.0
Muegge :
1.0
Bioavailability Score :
0.55
Water Solubility
Log S (ESOL) :
-1.73
Solubility :
3.1 mg/ml ; 0.0188 mol/l
Class :
Very soluble
Log S (Ali) :
-1.47
Solubility :
5.55 mg/ml ; 0.0336 mol/l
Class :
Very soluble
Log S (SILICOS-IT) :
-3.11
Solubility :
0.128 mg/ml ; 0.000776 mol/l
Class :
Soluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
0.0 alert
Leadlikeness :
1.0
Synthetic accessibility :
1.32