4-chloro-N-[(Z)-3-oxo-3-(oxolan-2-ylmethylamino)-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide

Formula:C27H25N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-chloro-N-[(Z)-3-oxo-3-(oxolan-2-ylmethylamino)-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	4-chloro-N-[(Z)-3-oxo-3-(oxolan-2-ylmethylamino)-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide
MolecularFormula	C27H25N2O4Cl
Smiles	O=C(/C(/NC(c(cc1)ccc1Cl)=O)=C/c1cc(Oc2ccccc2)ccc1)NCC1OCCC1
InChI	InChI=1S/C27H25ClN2O4/c28-21-13-11-20(12-14-21)26(31)30-25(27(32)29-18-24-10-5-15-33-24)17-19-6-4-9-23(16-19)34-22-7-2-1-3-8-22/h1-4,6-9,11-14,16-17,24H,5,10,15,18H2,(H,29,32)(H,30,31)/t24-/m1/s1
InChIK	IPHIHWUIVUUFCC-XMMPIXPASA-N
TotalMolweight	476.958
Molweight	476.958
MonoisotopicMass	476.150285
CLogP	5.0165
CLogS	-7.084
H Acceptors	6
H Donors	2
TotalSurfaceArea	365.37
Relative PSA	0.18885
PolarSurfaceArea	76.66
Druglikeness	2.2961
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	4
Amides	2
StereoCon	racemate

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