4-chloro-N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide

Formula:C28H25N4O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-chloro-N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	4-chloro-N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide
MolecularFormula	C28H25N4O3Cl
Smiles	O=C(/C(/NC(c(cc1)ccc1Cl)=O)=C\c1cc(Oc2ccccc2)ccc1)NCCCn1cncc1
InChI	InChI=1S/C28H25ClN4O3/c29-23-12-10-22(11-13-23)27(34)32-26(28(35)31-14-5-16-33-17-15-30-20-33)19-21-6-4-9-25(18-21)36-24-7-2-1-3-8-24/h1-4,6-13,15,17-20H,5,14,16H2,(H,31,35)(H,32,34)
InChIK	KJCMMVGHEGUFMW-UHFFFAOYSA-N
TotalMolweight	500.985
Molweight	500.985
MonoisotopicMass	500.161518
CLogP	4.8088
CLogS	-6.084
H Acceptors	7
H Donors	2
TotalSurfaceArea	390.33
Relative PSA	0.19686
PolarSurfaceArea	85.25
Druglikeness	6.1624
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	10
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	4
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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