5-[[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula:C15H9N3O6S Mutagenic:high Tumorigenic:high Reproductive Effective:high 5-[[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is a drug-like molecule.

MolName	5-[[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C15H9N3O6S
Smiles	[O-][N+](c(cc1)cc(-c2ccc(C=C(C(NC(N3)=S)=O)C3=O)o2)c1O)=O
InChI	InChI=1S/C15H9N3O6S/c19-11-3-1-7(18(22)23)5-9(11)12-4-2-8(24-12)6-10-13(20)16-15(25)17-14(10)21/h1-6,19H,(H2,16,17,20,21,25)
InChIK	HHZZFPFELRVODB-UHFFFAOYSA-N
TotalMolweight	359.317
Molweight	359.317
MonoisotopicMass	359.021207
CLogP	0.4394
CLogS	-4.112
H Acceptors	9
H Donors	3
TotalSurfaceArea	255.07
Relative PSA	0.52782
PolarSurfaceArea	169.48
Druglikeness	-1.3291
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro; thio-amide/urea
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	3
Amides	2
AcidicOxygens	1
StereoCon

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