4-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

Formula:C17H12N4O4S3 Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is a drug-like molecule.

MolName	4-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
MolecularFormula	C17H12N4O4S3
Smiles	O=C(/C(/N1)=C\c2ccc(-c(cc3)ccc3S(Nc3nccs3)(=O)=O)o2)NC1=S
InChI	InChI=1S/C17H12N4O4S3/c22-15-13(19-16(26)20-15)9-11-3-6-14(25-11)10-1-4-12(5-2-10)28(23,24)21-17-18-7-8-27-17/h1-9H,(H,18,21)(H2,19,20,22,26)
InChIK	RSZCMQUPJQDSCC-UHFFFAOYSA-N
TotalMolweight	432.504
Molweight	432.504
MonoisotopicMass	432.002066
CLogP	2.0921
CLogS	-5.346
H Acceptors	8
H Donors	3
TotalSurfaceArea	301.8
Relative PSA	0.49516
PolarSurfaceArea	182.04
Druglikeness	6.4812
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	3
Amides	2
Aromatic Nitrogens	1
StereoCon

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