(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-(3-imidazol-1-ylpropyl)prop-2-enamide

Formula:C20H17N4O2Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-(3-imidazol-1-ylpropyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-(3-imidazol-1-ylpropyl)prop-2-enamide
MolecularFormula	C20H17N4O2Cl
Smiles	N#C/C(/C(NCCCn1cncc1)=O)=C\c1ccc(-c(cc2)ccc2Cl)o1
InChI	InChI=1S/C20H17ClN4O2/c21-17-4-2-15(3-5-17)19-7-6-18(27-19)12-16(13-22)20(26)24-8-1-10-25-11-9-23-14-25/h2-7,9,11-12,14H,1,8,10H2,(H,24,26)
InChIK	CVPOFFLDHIWHLY-UHFFFAOYSA-N
TotalMolweight	380.834
Molweight	380.834
MonoisotopicMass	380.104003
CLogP	2.9166
CLogS	-4.144
H Acceptors	6
H Donors	1
TotalSurfaceArea	302.76
Relative PSA	0.23124
PolarSurfaceArea	83.85
Druglikeness	2.3482
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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