4-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate

Formula:C15H9N2O4S Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate is a drug-like molecule.

MolName	4-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate
MolecularFormula	C15H9N2O4S
Smiles	[O-]C(c(cc1)ccc1-c1ccc(/C=C(\C(N2)=O)/NC2=S)o1)=O
InChI	InChI=1S/C15H10N2O4S/c18-13-11(16-15(22)17-13)7-10-5-6-12(21-10)8-1-3-9(4-2-8)14(19)20/h1-7H,(H,19,20)(H2,16,17,18,22)/p-1
InChIK	VSEUBSIOCPHOEN-UHFFFAOYSA-M
TotalMolweight	313.312
Molweight	313.312
MonoisotopicMass	313.028303
CLogP	-0.4232
CLogS	-4.293
H Acceptors	6
H Donors	2
TotalSurfaceArea	232.58
Relative PSA	0.45313
PolarSurfaceArea	126.49
Druglikeness	3.33
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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