Merimepodib

Cat. No.: PI198821226

Product Details Other Identifiers Computed Properties

CAS	198821-22-6
Synonyms	(S)-Tetrahydrofuran-3-yl 3-(3-(3-methoxy-4-(oxazol-5-yl)phenyl)ureido)benzylcarbamate
Purity	98%
Molecular Formula	C23H24N4O6
Molecular Weight	452.46
Molar Refractivity	119.6

Pubchem ID	153241
InChI Key	JBPUGFODGPKTDW-SFHVURJKSA-N
MDL Number	MFCD09837807

Hydrogen Bond Donor Count	3.0
Hydrogen Bond Acceptor Count	7.0
Rotatable Bond Count	11
Topological Polar Surface Area	123.95 Å²
Heavy Atom Count	33
Aromatic Heavy Atoms Number	17
Fraction Csp3	0.26
Log Po/w (iLOGP)	3.15
Log Po/w (XLOGP3)	2.1
Log Po/w (WLOGP)	3.48
Log Po/w (MLOGP)	0.92
Log Po/w (SILICOS-IT)	2.15
Consensus Log Po/w	2.36
GI Absorption	High
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-7.57 cm/s
Lipinski	0.0
Ghose	None
Veber	1.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	2.0
Synthetic Accessibility	4.14

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