(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

Formula:C21H28N2O3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is a drug-like molecule.

MolName	(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
MolecularFormula	C21H28N2O3
Smiles	CCOc(cc1)ccc1N(C[C@H](C1)C(NCCC2=CCCCC2)=O)C1=O
InChI	InChI=1S/C21H28N2O3/c1-2-26-19-10-8-18(9-11-19)23-15-17(14-20(23)24)21(25)22-13-12-16-6-4-3-5-7-16/h6,8-11,17H,2-5,7,12-15H2,1H3,(H,22,25)/t17-/m0/s1
InChIK	KHHUWRGEBIRLAG-KRWDZBQOSA-N
TotalMolweight	356.464
Molweight	356.464
MonoisotopicMass	356.209993
CLogP	2.9677
CLogS	-3.897
H Acceptors	5
H Donors	1
TotalSurfaceArea	286.83
Relative PSA	0.17812
PolarSurfaceArea	58.64
Druglikeness	-1.976
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	1
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	12
Symmetricatoms	2
Amides	2
StereoCon	this enantiomer

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