2,4-dichloro-N-[(E)-3-(cyclohexylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide

Formula:C22H22N2O2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,4-dichloro-N-[(E)-3-(cyclohexylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	2,4-dichloro-N-[(E)-3-(cyclohexylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
MolecularFormula	C22H22N2O2Cl2
Smiles	O=C(/C(/NC(c(ccc(Cl)c1)c1Cl)=O)=C\c1ccccc1)NC1CCCCC1
InChI	InChI=1S/C22H22Cl2N2O2/c23-16-11-12-18(19(24)14-16)21(27)26-20(13-15-7-3-1-4-8-15)22(28)25-17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17H,2,5-6,9-10H2,(H,25,28)(H,26,27)
InChIK	AKZCYMJHKNIHNY-UHFFFAOYSA-N
TotalMolweight	417.335
Molweight	417.335
MonoisotopicMass	416.105832
CLogP	5.4828
CLogS	-6.412
H Acceptors	4
H Donors	2
TotalSurfaceArea	314.79
Relative PSA	0.15566
PolarSurfaceArea	58.2
Druglikeness	-1.3664
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	4
Amides	2
StereoCon

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