Fmoc-Asp-OAll

Name: Fmoc-Asp-OAll
SKU: PI144120536
Rating: 5 (1 reviews)

Cat. No.: PI144120536

Product Details Other Identifiers Computed Properties

CAS	144120-53-6
Purity	95%
Molecular Formula	C22H21NO6
Molecular Weight	395.41
Molar Refractivity	105.21

Pubchem ID	7020604
InChI Key	ZJMVIWUCCRKNHY-IBGZPJMESA-N
MDL Number	MFCD00467715

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	6.0
Rotatable Bond Count	11
Topological Polar Surface Area	101.93 Å²
Heavy Atom Count	29
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.23
Log Po/w (iLOGP)	2.37
Log Po/w (XLOGP3)	3.16
Log Po/w (WLOGP)	3.1
Log Po/w (MLOGP)	2.27
Log Po/w (SILICOS-IT)	3.23
Consensus Log Po/w	2.83
GI Absorption	High
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.47 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	2.0 alert
Leadlikeness	2.0
Synthetic Accessibility	4.16

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