Alternatived Products of [ 1375477-29-4 ]
Product Details of [ 1375477-29-4 ]
CAS No. : 1375477-29-4
MDL No. : MFCD22200549
Formula :
C36 H49 ClNPPd
Boiling Point :
-
Linear Structure Formula : -
InChI Key : QJKJIULTPCUPFN-UHFFFAOYSA-M
M.W :
668.63
Pubchem ID : 71479452
Synonyms :
Calculated chemistry of [ 1375477-29-4 ]
Physicochemical Properties
Num. heavy atoms :
40
Num. arom. heavy atoms :
6
Fraction Csp3 :
0.67
Num. rotatable bonds :
6
Num. H-bond acceptors :
1.0
Num. H-bond donors :
1.0
Molar Refractivity :
179.18
TPSA :
39.61 Ų
Pharmacokinetics
GI absorption :
High
BBB permeant :
No
P-gp substrate :
Yes
CYP1A2 inhibitor :
No
CYP2C19 inhibitor :
No
CYP2C9 inhibitor :
No
CYP2D6 inhibitor :
No
CYP3A4 inhibitor :
No
Log Kp (skin permeation) :
-2.78 cm/s
Lipophilicity
Log Po/w (iLOGP) :
0.0
Log Po/w (XLOGP3) :
10.7
Log Po/w (WLOGP) :
6.49
Log Po/w (MLOGP) :
8.01
Log Po/w (SILICOS-IT) :
6.98
Consensus Log Po/w :
6.44
Druglikeness
Lipinski :
2.0
Ghose :
None
Veber :
0.0
Egan :
1.0
Muegge :
3.0
Bioavailability Score :
0.17
Water Solubility
Log S (ESOL) :
-10.44
Solubility :
0.0000000242 mg/ml ; 0.0 mol/l
Class :
Insoluble
Log S (Ali) :
-11.49
Solubility :
0.0000000022 mg/ml ; 0.0 mol/l
Class :
Insoluble
Log S (SILICOS-IT) :
-11.4
Solubility :
0.0000000026 mg/ml ; 0.0 mol/l
Class :
Insoluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
3.0 alert
Leadlikeness :
2.0
Synthetic accessibility :
9.14
Safety of [ 1375477-29-4 ]