N-[(E)-1-(2-fluorophenyl)-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide

Formula:C21H21N2O3F Mutagenic:none Tumorigenic:none Reproductive Effective:low N-[(E)-1-(2-fluorophenyl)-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-1-(2-fluorophenyl)-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide
MolecularFormula	C21H21N2O3F
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c(cccc1)c1F)NCC1OCCC1
InChI	InChI=1S/C21H21FN2O3/c22-18-11-5-4-9-16(18)13-19(21(26)23-14-17-10-6-12-27-17)24-20(25)15-7-2-1-3-8-15/h1-5,7-9,11,13,17H,6,10,12,14H2,(H,23,26)(H,24,25)/t17-/m1/s1
InChIK	SRHPCYJVKVELMI-QGZVFWFLSA-N
TotalMolweight	368.407
Molweight	368.407
MonoisotopicMass	368.153621
CLogP	3.1157
CLogS	-4.365
H Acceptors	5
H Donors	2
TotalSurfaceArea	286.54
Relative PSA	0.2059
PolarSurfaceArea	67.43
Druglikeness	0.89189
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
Amides	2
StereoCon	racemate

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