2-[4-[(Z)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide

Formula:C19H14N3O4FS Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-[4-[(Z)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide is a drug-like molecule.

MolName	2-[4-[(Z)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide
MolecularFormula	C19H14N3O4FS
Smiles	NC(COc1ccc(/C=C(/C(NC(N2c(cccc3)c3F)=S)=O)\C2=O)cc1)=O
InChI	InChI=1S/C19H14FN3O4S/c20-14-3-1-2-4-15(14)23-18(26)13(17(25)22-19(23)28)9-11-5-7-12(8-6-11)27-10-16(21)24/h1-9H,10H2,(H2,21,24)(H,22,25,28)
InChIK	QMMFNABITJJWAP-UHFFFAOYSA-N
TotalMolweight	399.401
Molweight	399.401
MonoisotopicMass	399.068905
CLogP	1.2789
CLogS	-4.154
H Acceptors	7
H Donors	2
TotalSurfaceArea	290.58
Relative PSA	0.36961
PolarSurfaceArea	133.82
Druglikeness	2.7096
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	3
StereoCon

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