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

Formula:C20H20N2O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-[(1,1-dioxothiolan-3-yl)amino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-3-[(1,1-dioxothiolan-3-yl)amino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
MolecularFormula	C20H20N2O4S
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c1ccccc1)NC(CC1)CS1(=O)=O
InChI	InChI=1S/C20H20N2O4S/c23-19(16-9-5-2-6-10-16)22-18(13-15-7-3-1-4-8-15)20(24)21-17-11-12-27(25,26)14-17/h1-10,13,17H,11-12,14H2,(H,21,24)(H,22,23)/t17-/m1/s1
InChIK	LDYKAZKFFLNRBV-QGZVFWFLSA-N
TotalMolweight	384.455
Molweight	384.455
MonoisotopicMass	384.114378
CLogP	2.0788
CLogS	-3.91
H Acceptors	6
H Donors	2
TotalSurfaceArea	285.01
Relative PSA	0.2722
PolarSurfaceArea	100.72
Druglikeness	-0.27692
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	5
Amides	2
StereoCon	racemate

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