(E)-3-[2-(2-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enamide

Formula:C18H11N4O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-3-[2-(2-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enamide is a drug-like molecule.

MolName	(E)-3-[2-(2-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enamide
MolecularFormula	C18H11N4O3Cl
Smiles	NC(/C(/C#N)=C/C(C(N(C=CC=C1)C1=N1)=O)=C1Oc(cccc1)c1Cl)=O
InChI	InChI=1S/C18H11ClN4O3/c19-13-5-1-2-6-14(13)26-17-12(9-11(10-20)16(21)24)18(25)23-8-4-3-7-15(23)22-17/h1-9H,(H2,21,24)
InChIK	YOVLCVYJEOXQNK-UHFFFAOYSA-N
TotalMolweight	366.763
Molweight	366.763
MonoisotopicMass	366.051968
CLogP	1.3935
CLogS	-4.862
H Acceptors	7
H Donors	1
TotalSurfaceArea	271.31
Relative PSA	0.29476
PolarSurfaceArea	108.78
Druglikeness	-0.19276
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	low
Nasty Functions	polar activated DB; twice activated DB
Shape Index	0.42308
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Amides	2
BasicNitrogens	1
StereoCon

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