2-((2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)methoxy)-3-hydroxypropyl ((benzyloxy)carbonyl)-L-valinate

Name: 2-((2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)methoxy)-3-hydroxypropyl ((benzyloxy)carbonyl)-L-valinate
SKU: PI194154400
Rating: 5 (1 reviews)

Cat. No.: PI194154400

Product Details Other Identifiers Computed Properties

CAS	194154-40-0
Purity	97%
Molecular Formula	C22H28N6O7
Molecular Weight	488.49
Molar Refractivity	124.38

MDL Number

MFCD13194862

Hydrogen Bond Donor Count	4.0
Hydrogen Bond Acceptor Count	9.0
Rotatable Bond Count	14
Topological Polar Surface Area	183.68 Å²
Heavy Atom Count	35
Aromatic Heavy Atoms Number	15
Fraction Csp3	0.41
Log Po/w (iLOGP)	2.47
Log Po/w (XLOGP3)	0.64
Log Po/w (WLOGP)	0.24
Log Po/w (MLOGP)	0.02
Log Po/w (SILICOS-IT)	0.87
Consensus Log Po/w	0.85
GI Absorption	Low
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-8.83 cm/s
Lipinski	1.0
Ghose	None
Veber	2.0
Egan	1.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	2.0
Synthetic Accessibility	4.68

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