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

Formula:C25H14N2O2Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high (5E)-5-(anthracen-9-ylmethylidene)-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is not a drug-like molecule.

MolName	(5E)-5-(anthracen-9-ylmethylidene)-1-(2,3-dichlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C25H14N2O2Cl2S
Smiles	O=C(/C(/C(N1c2cccc(Cl)c2Cl)=O)=C\c2c(cccc3)c3cc3ccccc23)NC1=S
InChI	InChI=1S/C25H14Cl2N2O2S/c26-20-10-5-11-21(22(20)27)29-24(31)19(23(30)28-25(29)32)13-18-16-8-3-1-6-14(16)12-15-7-2-4-9-17(15)18/h1-13H,(H,28,30,32)
InChIK	PAUNKYNQFPGDIV-UHFFFAOYSA-N
TotalMolweight	477.37
Molweight	477.37
MonoisotopicMass	476.015302
CLogP	6.1167
CLogS	-8.655
H Acceptors	4
H Donors	1
TotalSurfaceArea	334.24
Relative PSA	0.20671
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	0.40625
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
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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