N-[(E)-1-(2-fluorophenyl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]benzamide

Formula:C22H21N4O2F Mutagenic:none Tumorigenic:none Reproductive Effective:low N-[(E)-1-(2-fluorophenyl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-1-(2-fluorophenyl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C22H21N4O2F
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c(cccc1)c1F)NCCCn1cncc1
InChI	InChI=1S/C22H21FN4O2/c23-19-10-5-4-9-18(19)15-20(26-21(28)17-7-2-1-3-8-17)22(29)25-11-6-13-27-14-12-24-16-27/h1-5,7-10,12,14-16H,6,11,13H2,(H,25,29)(H,26,28)
InChIK	XBLOPDIFPBOZSL-UHFFFAOYSA-N
TotalMolweight	392.433
Molweight	392.433
MonoisotopicMass	392.164854
CLogP	2.908
CLogS	-3.365
H Acceptors	6
H Donors	2
TotalSurfaceArea	311.5
Relative PSA	0.21457
PolarSurfaceArea	76.02
Druglikeness	4.8201
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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