(E)-3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-pyridin-2-ylprop-2-enamide

Formula:C21H22N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-pyridin-2-ylprop-2-enamide is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-pyridin-2-ylprop-2-enamide
MolecularFormula	C21H22N2O3
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)N(C1CCCCC1)c1ncccc1
InChI	InChI=1S/C21H22N2O3/c24-21(12-10-16-9-11-18-19(14-16)26-15-25-18)23(17-6-2-1-3-7-17)20-8-4-5-13-22-20/h4-5,8-14,17H,1-3,6-7,15H2
InChIK	YZZYQHPDSKJBRO-UHFFFAOYSA-N
TotalMolweight	350.417
Molweight	350.417
MonoisotopicMass	350.163043
CLogP	4.4033
CLogS	-5.489
H Acceptors	5
TotalSurfaceArea	274.39
Relative PSA	0.17333
PolarSurfaceArea	51.66
Druglikeness	-4.6002
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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