Alternatived Products of [ 874948-63-7 ]
Product Details of [ 874948-63-7 ]
CAS No. : 874948-63-7
MDL No. : MFCD10567009
Formula :
C50 H57 O4 P
Boiling Point :
-
Linear Structure Formula : -
InChI Key : AGQAQYPGJDBIQR-UHFFFAOYSA-N
M.W :
752.95
Pubchem ID : 11498681
Synonyms :
Calculated chemistry of [ 874948-63-7 ]
Physicochemical Properties
Num. heavy atoms :
55
Num. arom. heavy atoms :
32
Fraction Csp3 :
0.36
Num. rotatable bonds :
8
Num. H-bond acceptors :
4.0
Num. H-bond donors :
1.0
Molar Refractivity :
236.32
TPSA :
65.57 Ų
Pharmacokinetics
GI absorption :
Low
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) :
-0.36 cm/s
Lipophilicity
Log Po/w (iLOGP) :
6.76
Log Po/w (XLOGP3) :
14.83
Log Po/w (WLOGP) :
15.61
Log Po/w (MLOGP) :
8.54
Log Po/w (SILICOS-IT) :
14.41
Consensus Log Po/w :
12.03
Druglikeness
Lipinski :
2.0
Ghose :
None
Veber :
0.0
Egan :
1.0
Muegge :
2.0
Bioavailability Score :
0.56
Water Solubility
Log S (ESOL) :
-13.75
Solubility :
0.0 mg/ml ; 0.0 mol/l
Class :
Insoluble
Log S (Ali) :
-16.32
Solubility :
0.0 mg/ml ; 4.82e-17 mol/l
Class :
Insoluble
Log S (SILICOS-IT) :
-16.63
Solubility :
0.0 mg/ml ; 2.35e-17 mol/l
Class :
Insoluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
1.0 alert
Leadlikeness :
3.0
Synthetic accessibility :
6.45
Safety of [ 874948-63-7 ]