(E)-2-cyano-N-(2,4-dichlorophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-enamide

Formula:C20H17N3O2Cl2 Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-2-cyano-N-(2,4-dichlorophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-N-(2,4-dichlorophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-enamide
MolecularFormula	C20H17N3O2Cl2
Smiles	N#C/C(/C(Nc(ccc(Cl)c1)c1Cl)=O)=C\c(cc1)ccc1N1CCOCC1
InChI	InChI=1S/C20H17Cl2N3O2/c21-16-3-6-19(18(22)12-16)24-20(26)15(13-23)11-14-1-4-17(5-2-14)25-7-9-27-10-8-25/h1-6,11-12H,7-10H2,(H,24,26)
InChIK	QSJJUQULGMVJLY-UHFFFAOYSA-N
TotalMolweight	402.28
Molweight	402.28
MonoisotopicMass	401.069781
CLogP	3.8693
CLogS	-5.345
H Acceptors	5
H Donors	1
TotalSurfaceArea	301.33
Relative PSA	0.17127
PolarSurfaceArea	65.36
Druglikeness	-0.61703
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	low
Nasty Functions	twice activated DB
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	4
Amides	1
Amines	1
Aromatic Amines	1
StereoCon

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