(E)-2-cyano-N-cyclohexyl-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enamide

Formula:C22H27N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-N-cyclohexyl-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-N-cyclohexyl-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enamide
MolecularFormula	C22H27N3O4
Smiles	N#C/C(/C(NC1CCCCC1)=O)=C\c(cc1)ccc1OCC(N1CCOCC1)=O
InChI	InChI=1S/C22H27N3O4/c23-15-18(22(27)24-19-4-2-1-3-5-19)14-17-6-8-20(9-7-17)29-16-21(26)25-10-12-28-13-11-25/h6-9,14,19H,1-5,10-13,16H2,(H,24,27)
InChIK	AQVYAOVXJACVKI-UHFFFAOYSA-N
TotalMolweight	397.473
Molweight	397.473
MonoisotopicMass	397.200157
CLogP	2.0845
CLogS	-3.327
H Acceptors	7
H Donors	1
TotalSurfaceArea	320.04
Relative PSA	0.23325
PolarSurfaceArea	91.66
Druglikeness	-3.9594
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	13
Symmetricatoms	6
Amides	2
StereoCon

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