Alternatived Products of [ 345967-22-8 ]
Product Details of [ 345967-22-8 ]
CAS No. : 345967-22-8
MDL No. : MFCD03426988
Formula :
C22 H18 NO2 P
Boiling Point :
-
Linear Structure Formula : -
InChI Key : QCHAVHXSBZARBO-UHFFFAOYSA-N
M.W :
359.36
Pubchem ID : 10893715
Synonyms :
Calculated chemistry of [ 345967-22-8 ]
Physicochemical Properties
Num. heavy atoms :
26
Num. arom. heavy atoms :
23
Fraction Csp3 :
0.09
Num. rotatable bonds :
1
Num. H-bond acceptors :
2.0
Num. H-bond donors :
0.0
Molar Refractivity :
111.28
TPSA :
29.52 Ų
Pharmacokinetics
GI absorption :
Low
BBB permeant :
No
P-gp substrate :
Yes
CYP1A2 inhibitor :
Yes
CYP2C19 inhibitor :
Yes
CYP2C9 inhibitor :
No
CYP2D6 inhibitor :
No
CYP3A4 inhibitor :
Yes
Log Kp (skin permeation) :
-4.17 cm/s
Lipophilicity
Log Po/w (iLOGP) :
3.75
Log Po/w (XLOGP3) :
6.09
Log Po/w (WLOGP) :
6.79
Log Po/w (MLOGP) :
3.82
Log Po/w (SILICOS-IT) :
4.34
Consensus Log Po/w :
4.96
Druglikeness
Lipinski :
0.0
Ghose :
None
Veber :
0.0
Egan :
1.0
Muegge :
1.0
Bioavailability Score :
0.55
Water Solubility
Log S (ESOL) :
-6.49
Solubility :
0.000115 mg/ml ; 0.000000321 mol/l
Class :
Poorly soluble
Log S (Ali) :
-6.49
Solubility :
0.000116 mg/ml ; 0.000000323 mol/l
Class :
Poorly soluble
Log S (SILICOS-IT) :
-8.54
Solubility :
0.00000103 mg/ml ; 0.0000000029 mol/l
Class :
Poorly soluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
0.0 alert
Leadlikeness :
2.0
Synthetic accessibility :
4.26
Safety of [ 345967-22-8 ]