(E)-2-cyano-N-cyclohexyl-3-[2-(2-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide

Formula:C24H21N4O3F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-N-cyclohexyl-3-[2-(2-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-N-cyclohexyl-3-[2-(2-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
MolecularFormula	C24H21N4O3F
Smiles	N#C/C(/C(NC1CCCCC1)=O)=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Oc(cccc1)c1F
InChI	InChI=1S/C24H21FN4O3/c25-19-10-4-5-11-20(19)32-23-18(24(31)29-13-7-6-12-21(29)28-23)14-16(15-26)22(30)27-17-8-2-1-3-9-17/h4-7,10-14,17H,1-3,8-9H2,(H,27,30)
InChIK	VUTHWKCWAOVYRF-UHFFFAOYSA-N
TotalMolweight	432.454
Molweight	432.454
MonoisotopicMass	432.159769
CLogP	2.7955
CLogS	-5.93
H Acceptors	7
H Donors	1
TotalSurfaceArea	332.98
Relative PSA	0.22872
PolarSurfaceArea	94.79
Druglikeness	-5.7453
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB; twice activated DB
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	2
Amides	2
BasicNitrogens	1
StereoCon

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