(5Z)-1-(3,4-dichlorophenyl)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula:C27H14N2O3Cl4S Mutagenic:high Tumorigenic:high Reproductive Effective:high (5Z)-1-(3,4-dichlorophenyl)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione is not a drug-like molecule.

MolName	(5Z)-1-(3,4-dichlorophenyl)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C27H14N2O3Cl4S
Smiles	O=C(/C(/C(N1c(cc2)cc(Cl)c2Cl)=O)=C/c2ccc(-c(cc3)cc(Cl)c3Cl)o2)N(c2ccccc2)C1=S
InChI	InChI=1S/C27H14Cl4N2O3S/c28-20-9-6-15(12-22(20)30)24-11-8-18(36-24)14-19-25(34)32(16-4-2-1-3-5-16)27(37)33(26(19)35)17-7-10-21(29)23(31)13-17/h1-14H
InChIK	MJOREXXNZNVBIC-UHFFFAOYSA-N
TotalMolweight	588.297
Molweight	588.297
MonoisotopicMass	585.947921
CLogP	7.6269
CLogS	-9.858
H Acceptors	5
TotalSurfaceArea	403.93
Relative PSA	0.18639
PolarSurfaceArea	85.85
Druglikeness	3.7581
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.45946
Fragments	1
Non HAtoms	37
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	2
Amides	2
StereoCon

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1 - (5Z)-1-(3,4-dichlorophenyl)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione | 2 - (5Z)-1-(3,4-dichlorophenyl)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

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