Fmoc-D-Ala-OH

Cat. No.: PI79990151

Product Details Other Identifiers Computed Properties

CAS	79990-15-1
Purity	98%
Molecular Formula	C18H17NO4
Molecular Weight	311.33
Molar Refractivity	85.17

Pubchem ID	2724627
InChI Key	QWXZOFZKSQXPDC-LLVKDONJSA-N
MDL Number	MFCD00062960

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	4.0
Rotatable Bond Count	6
Topological Polar Surface Area	75.63 Å²
Heavy Atom Count	23
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.22
Log Po/w (iLOGP)	2.43
Log Po/w (XLOGP3)	3.05
Log Po/w (WLOGP)	3.0
Log Po/w (MLOGP)	2.32
Log Po/w (SILICOS-IT)	2.53
Consensus Log Po/w	2.67
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.03 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.56
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	0.0
Synthetic Accessibility	3.61

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