(E)-N-[(4-chlorophenyl)methyl]-2-cyano-3-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]prop-2-enamide

Formula:C25H26N3O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[(4-chlorophenyl)methyl]-2-cyano-3-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[(4-chlorophenyl)methyl]-2-cyano-3-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]prop-2-enamide
MolecularFormula	C25H26N3O3Cl
Smiles	N#C/C(/C(NCc(cc1)ccc1Cl)=O)=C\c(cc1)ccc1OCC(NC1CCCCC1)=O
InChI	InChI=1S/C25H26ClN3O3/c26-21-10-6-19(7-11-21)16-28-25(31)20(15-27)14-18-8-12-23(13-9-18)32-17-24(30)29-22-4-2-1-3-5-22/h6-14,22H,1-5,16-17H2,(H,28,31)(H,29,30)
InChIK	NIDCQWAOJFMNLP-UHFFFAOYSA-N
TotalMolweight	451.952
Molweight	451.952
MonoisotopicMass	451.166269
CLogP	3.8731
CLogS	-5.681
H Acceptors	6
H Donors	2
TotalSurfaceArea	358.6
Relative PSA	0.20234
PolarSurfaceArea	91.22
Druglikeness	-5.3189
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.6875
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	6
Amides	2
StereoCon

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