3-[5-[(E)-(2-morpholin-4-ium-4-yl-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzoate

Formula:C19H16N2O5S Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[5-[(E)-(2-morpholin-4-ium-4-yl-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzoate is a drug-like molecule.

MolName	3-[5-[(E)-(2-morpholin-4-ium-4-yl-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]benzoate
MolecularFormula	C19H16N2O5S
Smiles	[O-]C(c1cccc(-c2ccc(/C=C3/SC([NH+]4CCOCC4)=NC3=O)o2)c1)=O
InChI	InChI=1S/C19H16N2O5S/c22-17-16(27-19(20-17)21-6-8-25-9-7-21)11-14-4-5-15(26-14)12-2-1-3-13(10-12)18(23)24/h1-5,10-11H,6-9H2,(H,23,24)
InChIK	CWFRADDHERLURN-UHFFFAOYSA-N
TotalMolweight	384.411
Molweight	384.411
MonoisotopicMass	384.077993
CLogP	-2.2357
CLogS	-4.383
H Acceptors	7
H Donors	1
TotalSurfaceArea	293.29
Relative PSA	0.37867
PolarSurfaceArea	121.67
Druglikeness	1.3951
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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