(E)-3-phenyl-N-[2,2,2-trichloro-1-[(1,1-dioxothiolan-3-yl)carbamothioylamino]ethyl]prop-2-enamide

Formula:C16H18N3O3Cl3S2 Mutagenic:high Tumorigenic:low Reproductive Effective:high (E)-3-phenyl-N-[2,2,2-trichloro-1-[(1,1-dioxothiolan-3-yl)carbamothioylamino]ethyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-phenyl-N-[2,2,2-trichloro-1-[(1,1-dioxothiolan-3-yl)carbamothioylamino]ethyl]prop-2-enamide
MolecularFormula	C16H18N3O3Cl3S2
Smiles	O=C(/C=C/c1ccccc1)NC(C(Cl)(Cl)Cl)NC(NC(CC1)CS1(=O)=O)=S
InChI	InChI=1S/C16H18Cl3N3O3S2/c17-16(18,19)14(21-13(23)7-6-11-4-2-1-3-5-11)22-15(26)20-12-8-9-27(24,25)10-12/h1-7,12,14H,8-10H2,(H,21,23)(H2,20,22,26)
InChIK	UCFQDXWVZKPSCQ-UHFFFAOYSA-N
TotalMolweight	470.828
Molweight	470.828
MonoisotopicMass	468.985513
CLogP	2.0705
CLogS	-4.387
H Acceptors	6
H Donors	3
TotalSurfaceArea	322.63
Relative PSA	0.32235
PolarSurfaceArea	127.77
Druglikeness	-3.3905
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	methanediamine; thio-amide/urea
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	2
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	5
Amides	1
StereoCon	unknown chirality

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1 - (E)-3-phenyl-N-[2,2,2-trichloro-1-[(1,1-dioxothiolan-3-yl)carbamothioylamino]ethyl]prop-2-enamide | 2 - (E)-3-phenyl-N-[2,2,2-trichloro-1-[(1,1-dioxothiolan-3-yl)carbamothioylamino]ethyl]prop-2-enamide

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