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

Formula:C29H30N3O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-chloro-N-[(E)-3-(3-morpholin-4-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-morpholin-4-ylpropylamino)-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide
MolecularFormula	C29H30N3O4Cl
Smiles	O=C(/C(/NC(c(cc1)ccc1Cl)=O)=C\c1cc(Oc2ccccc2)ccc1)NCCCN1CCOCC1
InChI	InChI=1S/C29H30ClN3O4/c30-24-12-10-23(11-13-24)28(34)32-27(29(35)31-14-5-15-33-16-18-36-19-17-33)21-22-6-4-9-26(20-22)37-25-7-2-1-3-8-25/h1-4,6-13,20-21H,5,14-19H2,(H,31,35)(H,32,34)
InChIK	LVKFFOJYALHEDI-UHFFFAOYSA-N
TotalMolweight	520.027
Molweight	520.027
MonoisotopicMass	519.192484
CLogP	4.8399
CLogS	-6.159
H Acceptors	7
H Donors	2
TotalSurfaceArea	404.45
Relative PSA	0.17938
PolarSurfaceArea	79.9
Druglikeness	4.8984
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51351
Fragments	1
Non HAtoms	37
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	10
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	10
Symmetricatoms	6
Amides	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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