Flumorph

Cat. No.: PI211867479

Product Details Other Identifiers Computed Properties

CAS	211867-47-9
Synonyms	3-(3,4-Dimethoxyphenyl)-3-(4-fluorophenyl)-1-morpholinoprop-2-en-1-one
Purity	98%
Molecular Formula	C21H22FNO4
Molecular Weight	371.40
Molar Refractivity	103.98

Pubchem ID	11057755
InChI Key	BKBSMMUEEAWFRX-NBVRZTHBSA-N
MDL Number	MFCD08690411

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	6
Topological Polar Surface Area	48.0 Å²
Heavy Atom Count	27
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.29
Log Po/w (iLOGP)	3.62
Log Po/w (XLOGP3)	2.15
Log Po/w (WLOGP)	3.17
Log Po/w (MLOGP)	2.29
Log Po/w (SILICOS-IT)	4.15
Consensus Log Po/w	3.08
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-7.04 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	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	3.1

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