(5Z)-1-(3-chlorophenyl)-5-[(4-piperidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula:C22H20N3O2ClS Mutagenic:high Tumorigenic:low Reproductive Effective:high (5Z)-1-(3-chlorophenyl)-5-[(4-piperidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is a drug-like molecule.

MolName	(5Z)-1-(3-chlorophenyl)-5-[(4-piperidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C22H20N3O2ClS
Smiles	O=C(/C(/C(N1c2cccc(Cl)c2)=O)=C/c(cc2)ccc2N2CCCCC2)NC1=S
InChI	InChI=1S/C22H20ClN3O2S/c23-16-5-4-6-18(14-16)26-21(28)19(20(27)24-22(26)29)13-15-7-9-17(10-8-15)25-11-2-1-3-12-25/h4-10,13-14H,1-3,11-12H2,(H,24,27,29)
InChIK	IYYOCZGUVYANLI-UHFFFAOYSA-N
TotalMolweight	425.939
Molweight	425.939
MonoisotopicMass	425.096474
CLogP	3.9549
CLogS	-5.699
H Acceptors	5
H Donors	1
TotalSurfaceArea	315.22
Relative PSA	0.23044
PolarSurfaceArea	84.74
Druglikeness	3.1249
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	4
Amides	2
Amines	1
Aromatic Amines	1
StereoCon

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