(E)-N-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide

Formula:C22H16N3O3Br2FS Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-N-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
MolecularFormula	C22H16N3O3Br2FS
Smiles	O=C(COc(ccc1cc(Br)ccc11)c1Br)NNC(NC(/C=C/c(cc1)ccc1F)=O)=S
InChI	InChI=1S/C22H16Br2FN3O3S/c23-15-5-8-17-14(11-15)4-9-18(21(17)24)31-12-20(30)27-28-22(32)26-19(29)10-3-13-1-6-16(25)7-2-13/h1-11H,12H2,(H,27,30)(H2,26,28,29,32)
InChIK	AOPYFWNLMUVSIJ-UHFFFAOYSA-N
TotalMolweight	581.259
Molweight	581.259
MonoisotopicMass	578.926312
CLogP	4.4497
CLogS	-7.593
H Acceptors	6
H Donors	3
TotalSurfaceArea	364.08
Relative PSA	0.27044
PolarSurfaceArea	111.55
Druglikeness	-2.0103
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.6875
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon

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1 - (E)-N-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide | 2 - (E)-N-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide

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