2-fluoro-N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide

Formula:C21H20N5O2F Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-fluoro-N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	2-fluoro-N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
MolecularFormula	C21H20N5O2F
Smiles	O=C(/C(/NC(c(cccc1)c1F)=O)=C\c1cnccc1)NCCCn1cncc1
InChI	InChI=1S/C21H20FN5O2/c22-18-7-2-1-6-17(18)20(28)26-19(13-16-5-3-8-23-14-16)21(29)25-9-4-11-27-12-10-24-15-27/h1-3,5-8,10,12-15H,4,9,11H2,(H,25,29)(H,26,28)
InChIK	CMVHMMYYOUBPJG-UHFFFAOYSA-N
TotalMolweight	393.421
Molweight	393.421
MonoisotopicMass	393.160103
CLogP	1.9071
CLogS	-2.57
H Acceptors	7
H Donors	2
TotalSurfaceArea	310.26
Relative PSA	0.25079
PolarSurfaceArea	88.91
Druglikeness	4.8201
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Amides	2
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

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