N-[(E)-1-(4-bromophenyl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide

Formula:C22H20N4O2BrF Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-1-(4-bromophenyl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide is a drug-like molecule.

MolName	N-[(E)-1-(4-bromophenyl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide
MolecularFormula	C22H20N4O2BrF
Smiles	O=C(/C(/NC(c(cccc1)c1F)=O)=C\c(cc1)ccc1Br)NCCCn1cncc1
InChI	InChI=1S/C22H20BrFN4O2/c23-17-8-6-16(7-9-17)14-20(27-21(29)18-4-1-2-5-19(18)24)22(30)26-10-3-12-28-13-11-25-15-28/h1-2,4-9,11,13-15H,3,10,12H2,(H,26,30)(H,27,29)
InChIK	USAYPIVFVSRCQB-UHFFFAOYSA-N
TotalMolweight	471.329
Molweight	471.329
MonoisotopicMass	470.075365
CLogP	3.6332
CLogS	-4.199
H Acceptors	6
H Donors	2
TotalSurfaceArea	330.13
Relative PSA	0.20247
PolarSurfaceArea	76.02
Druglikeness	3.0301
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
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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