N-[(E)-3-(benzylamino)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

Formula:C21H17N2O3F Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-(benzylamino)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.

MolName	N-[(E)-3-(benzylamino)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
MolecularFormula	C21H17N2O3F
Smiles	O=C(/C(/NC(c1ccco1)=O)=C\c(cc1)ccc1F)NCc1ccccc1
InChI	InChI=1S/C21H17FN2O3/c22-17-10-8-15(9-11-17)13-18(24-21(26)19-7-4-12-27-19)20(25)23-14-16-5-2-1-3-6-16/h1-13H,14H2,(H,23,25)(H,24,26)
InChIK	BECYCEDQUKDHDH-UHFFFAOYSA-N
TotalMolweight	364.375
Molweight	364.375
MonoisotopicMass	364.122321
CLogP	3.4227
CLogS	-4.685
H Acceptors	5
H Donors	2
TotalSurfaceArea	285.71
Relative PSA	0.22089
PolarSurfaceArea	71.34
Druglikeness	1.9265
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
Amides	2
StereoCon

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