Fmoc-Glu-Obzl

Cat. No.: PI122350521

Product Details Other Identifiers Computed Properties

CAS	122350-52-1
Purity	97%
Molecular Formula	C27H25NO6
Molecular Weight	459.49
Molar Refractivity	125.36

Pubchem ID	10049854
InChI Key	FMWLYDDRYGOYMY-DEOSSOPVSA-N
MDL Number	MFCD00080272

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	6.0
Rotatable Bond Count	12
Topological Polar Surface Area	101.93 Å²
Heavy Atom Count	34
Aromatic Heavy Atoms Number	18
Fraction Csp3	0.22
Log Po/w (iLOGP)	3.31
Log Po/w (XLOGP3)	4.36
Log Po/w (WLOGP)	4.35
Log Po/w (MLOGP)	3.17
Log Po/w (SILICOS-IT)	4.35
Consensus Log Po/w	3.91
GI Absorption	High
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.01 cm/s
Lipinski	0.0
Ghose	None
Veber	1.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.56
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	3.0
Synthetic Accessibility	4.18

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