(5Z)-1-(3-chloro-4-fluorophenyl)-5-(piperidin-1-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula:C16H15N3O2ClFS Mutagenic:high Tumorigenic:none Reproductive Effective:high (5Z)-1-(3-chloro-4-fluorophenyl)-5-(piperidin-1-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione is a drug-like molecule.

MolName	(5Z)-1-(3-chloro-4-fluorophenyl)-5-(piperidin-1-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C16H15N3O2ClFS
Smiles	O=C(/C(/C(N1c(cc2)cc(Cl)c2F)=O)=C/N2CCCCC2)NC1=S
InChI	InChI=1S/C16H15ClFN3O2S/c17-12-8-10(4-5-13(12)18)21-15(23)11(14(22)19-16(21)24)9-20-6-2-1-3-7-20/h4-5,8-9H,1-3,6-7H2,(H,19,22,24)
InChIK	MSGASAFTCWWKKN-UHFFFAOYSA-N
TotalMolweight	367.831
Molweight	367.831
MonoisotopicMass	367.055752
CLogP	2.0842
CLogS	-4.054
H Acceptors	5
H Donors	1
TotalSurfaceArea	261.81
Relative PSA	0.27745
PolarSurfaceArea	84.74
Druglikeness	1.6261
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Symmetricatoms	2
Amides	2
StereoCon

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