N-[(Z)-1-(furan-2-yl)-3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxoprop-1-en-2-yl]benzamide

Formula:C20H22N2O4 Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(Z)-1-(furan-2-yl)-3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(Z)-1-(furan-2-yl)-3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C20H22N2O4
Smiles	OCC(CCC1)CN1C(/C(/NC(c1ccccc1)=O)=C/c1ccco1)=O
InChI	InChI=1S/C20H22N2O4/c23-14-15-6-4-10-22(13-15)20(25)18(12-17-9-5-11-26-17)21-19(24)16-7-2-1-3-8-16/h1-3,5,7-9,11-12,15,23H,4,6,10,13-14H2,(H,21,24)/t15-/m0/s1
InChIK	DQIHSPDOWNABKK-HNNXBMFYSA-N
TotalMolweight	354.405
Molweight	354.405
MonoisotopicMass	354.157958
CLogP	2.6459
CLogS	-3.295
H Acceptors	6
H Donors	2
TotalSurfaceArea	278.83
Relative PSA	0.24495
PolarSurfaceArea	82.78
Druglikeness	1.9472
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	2
Amides	2
StereoCon	racemate

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