PSI-6130

Cat. No.: PI817204334

Product Details Other Identifiers Computed Properties

CAS	817204-33-4
Synonyms	4-Amino-1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyltetrahydrofuran-2-yl)pyrimidin-2(1H)-one
Purity	min. 95%
Molecular Formula	C10H14FN3O4
Molecular Weight	259.23
Molar Refractivity	59.58

Pubchem ID	6481236
InChI Key	NYPIRLYMDJMKGW-VPCXQMTMSA-N
MDL Number	MFCD13176566

Hydrogen Bond Donor Count	3.0
Hydrogen Bond Acceptor Count	6.0
Rotatable Bond Count	2
Topological Polar Surface Area	110.6 Å²
Heavy Atom Count	18
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.6
Log Po/w (iLOGP)	0.87
Log Po/w (XLOGP3)	-1.41
Log Po/w (WLOGP)	-1.09
Log Po/w (MLOGP)	-0.65
Log Po/w (SILICOS-IT)	-0.91
Consensus Log Po/w	-0.64
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-8.88 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	0.0
Synthetic Accessibility	4.02

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