Alternatived Products of [ 159990-12-2 ]
Product Details of [ 159990-12-2 ]
CAS No. : 159990-12-2
MDL No. : MFCD03427900
Formula :
C15 H21 NO5
Boiling Point :
-
Linear Structure Formula : -
InChI Key : OPAAZWPTEYZZIW-LBPRGKRZSA-N
M.W :
295.33
Pubchem ID : 1939767
Synonyms :
Calculated chemistry of [ 159990-12-2 ]
Physicochemical Properties
Num. heavy atoms :
21
Num. arom. heavy atoms :
6
Fraction Csp3 :
0.47
Num. rotatable bonds :
8
Num. H-bond acceptors :
5.0
Num. H-bond donors :
2.0
Molar Refractivity :
77.83
TPSA :
84.86 Ų
Pharmacokinetics
GI absorption :
High
BBB permeant :
No
P-gp substrate :
No
CYP1A2 inhibitor :
No
CYP2C19 inhibitor :
No
CYP2C9 inhibitor :
No
CYP2D6 inhibitor :
No
CYP3A4 inhibitor :
No
Log Kp (skin permeation) :
-6.73 cm/s
Lipophilicity
Log Po/w (iLOGP) :
2.54
Log Po/w (XLOGP3) :
1.93
Log Po/w (WLOGP) :
2.41
Log Po/w (MLOGP) :
1.68
Log Po/w (SILICOS-IT) :
1.73
Consensus Log Po/w :
2.06
Druglikeness
Lipinski :
0.0
Ghose :
None
Veber :
0.0
Egan :
0.0
Muegge :
0.0
Bioavailability Score :
0.56
Water Solubility
Log S (ESOL) :
-2.57
Solubility :
0.794 mg/ml ; 0.00269 mol/l
Class :
Soluble
Log S (Ali) :
-3.34
Solubility :
0.136 mg/ml ; 0.000461 mol/l
Class :
Soluble
Log S (SILICOS-IT) :
-3.29
Solubility :
0.15 mg/ml ; 0.000507 mol/l
Class :
Soluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
0.0 alert
Leadlikeness :
1.0
Synthetic accessibility :
2.69
Safety of [ 159990-12-2 ]