[2-oxo-2-(2-phenylsulfanylanilino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate

Formula:C21H17NO4S Mutagenic:high Tumorigenic:none Reproductive Effective:none [2-oxo-2-(2-phenylsulfanylanilino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-oxo-2-(2-phenylsulfanylanilino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate
MolecularFormula	C21H17NO4S
Smiles	O=C(COC(/C=C/c1ccco1)=O)Nc(cccc1)c1Sc1ccccc1
InChI	InChI=1S/C21H17NO4S/c23-20(15-26-21(24)13-12-16-7-6-14-25-16)22-18-10-4-5-11-19(18)27-17-8-2-1-3-9-17/h1-14H,15H2,(H,22,23)
InChIK	QVZBHAWIQWCLEZ-UHFFFAOYSA-N
TotalMolweight	379.435
Molweight	379.435
MonoisotopicMass	379.087829
CLogP	3.704
CLogS	-4.869
H Acceptors	5
H Donors	1
TotalSurfaceArea	297.18
Relative PSA	0.2663
PolarSurfaceArea	93.84
Druglikeness	0.55466
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon

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