(E)-N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide

Formula:C20H18N3O3Cl2FS Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
MolecularFormula	C20H18N3O3Cl2FS
Smiles	O=C(CCCOc(ccc(Cl)c1)c1Cl)NNC(NC(/C=C/c(cc1)ccc1F)=O)=S
InChI	InChI=1S/C20H18Cl2FN3O3S/c21-14-6-9-17(16(22)12-14)29-11-1-2-19(28)25-26-20(30)24-18(27)10-5-13-3-7-15(23)8-4-13/h3-10,12H,1-2,11H2,(H,25,28)(H2,24,26,27,30)
InChIK	BCHLLNFRVQLSGR-UHFFFAOYSA-N
TotalMolweight	470.351
Molweight	470.351
MonoisotopicMass	469.042994
CLogP	3.9257
CLogS	-6.331
H Acceptors	6
H Donors	3
TotalSurfaceArea	350.58
Relative PSA	0.28085
PolarSurfaceArea	111.55
Druglikeness	-4.0421
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	thio-amide/urea
Shape Index	0.73333
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
Amides	1
StereoCon

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