N-[(5E)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetamide

Formula:C22H15N3O5S2 Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(5E)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetamide is a drug-like molecule.

MolName	N-[(5E)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetamide
MolecularFormula	C22H15N3O5S2
Smiles	[O-][N+](c1cccc(-c2ccc(/C=C(\C(N3NC(Cc4ccccc4)=O)=O)/SC3=S)o2)c1)=O
InChI	InChI=1S/C22H15N3O5S2/c26-20(11-14-5-2-1-3-6-14)23-24-21(27)19(32-22(24)31)13-17-9-10-18(30-17)15-7-4-8-16(12-15)25(28)29/h1-10,12-13H,11H2,(H,23,26)
InChIK	WMNWBOHNXBCROW-UHFFFAOYSA-N
TotalMolweight	465.509
Molweight	465.509
MonoisotopicMass	465.045312
CLogP	1.4866
CLogS	-6.569
H Acceptors	8
H Donors	1
TotalSurfaceArea	338.57
Relative PSA	0.38725
PolarSurfaceArea	165.76
Druglikeness	-0.11244
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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