(5E)-5-(anthracen-9-ylmethylidene)-1-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula:C25H15N2O2ClS Mutagenic:high Tumorigenic:high Reproductive Effective:high (5E)-5-(anthracen-9-ylmethylidene)-1-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is not a drug-like molecule.

MolName	(5E)-5-(anthracen-9-ylmethylidene)-1-(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C25H15N2O2ClS
Smiles	O=C(/C(/C(N1c2cccc(Cl)c2)=O)=C\c2c(cccc3)c3cc3ccccc23)NC1=S
InChI	InChI=1S/C25H15ClN2O2S/c26-17-8-5-9-18(13-17)28-24(30)22(23(29)27-25(28)31)14-21-19-10-3-1-6-15(19)12-16-7-2-4-11-20(16)21/h1-14H,(H,27,29,31)
InChIK	DLRDONRBKVHLJZ-UHFFFAOYSA-N
TotalMolweight	442.925
Molweight	442.925
MonoisotopicMass	442.054275
CLogP	5.5107
CLogS	-7.919
H Acceptors	4
H Donors	1
TotalSurfaceArea	318.82
Relative PSA	0.21671
PolarSurfaceArea	81.5
Druglikeness	3.6551
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.41935
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	6
Amides	2
StereoCon

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