2-chloro-N-[(E)-3-[(1,1-dioxothiolan-3-yl)amino]-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide

Formula:C26H23N2O5ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-chloro-N-[(E)-3-[(1,1-dioxothiolan-3-yl)amino]-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	2-chloro-N-[(E)-3-[(1,1-dioxothiolan-3-yl)amino]-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide
MolecularFormula	C26H23N2O5ClS
Smiles	O=C(/C(/NC(c(cccc1)c1Cl)=O)=C\c1cc(Oc2ccccc2)ccc1)NC(CC1)CS1(=O)=O
InChI	InChI=1S/C26H23ClN2O5S/c27-23-12-5-4-11-22(23)25(30)29-24(26(31)28-19-13-14-35(32,33)17-19)16-18-7-6-10-21(15-18)34-20-8-2-1-3-9-20/h1-12,15-16,19H,13-14,17H2,(H,28,31)(H,29,30)/t19-/m0/s1
InChIK	MVIXGRRSUSEFML-IBGZPJMESA-N
TotalMolweight	510.997
Molweight	510.997
MonoisotopicMass	510.10162
CLogP	4.0804
CLogS	-6.943
H Acceptors	7
H Donors	2
TotalSurfaceArea	370.19
Relative PSA	0.23658
PolarSurfaceArea	109.95
Druglikeness	1.3865
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45714
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	3
Amides	2
StereoCon	racemate

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1 - 2-chloro-N-[(E)-3-[(1,1-dioxothiolan-3-yl)amino]-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide | 2 - 2-chloro-N-[(E)-3-[(1,1-dioxothiolan-3-yl)amino]-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide

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