[2-oxo-2-(3-sulfamoylanilino)ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate

Formula:C18H15N3O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-oxo-2-(3-sulfamoylanilino)ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-oxo-2-(3-sulfamoylanilino)ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
MolecularFormula	C18H15N3O5S2
Smiles	NS(c1cc(NC(COC(/C=C/c2nc(cccc3)c3s2)=O)=O)ccc1)(=O)=O
InChI	InChI=1S/C18H15N3O5S2/c19-28(24,25)13-5-3-4-12(10-13)20-16(22)11-26-18(23)9-8-17-21-14-6-1-2-7-15(14)27-17/h1-10H,11H2,(H,20,22)(H2,19,24,25)
InChIK	PRBKCWUHZTUSSJ-UHFFFAOYSA-N
TotalMolweight	417.465
Molweight	417.465
MonoisotopicMass	417.045312
CLogP	1.4654
CLogS	-3.564
H Acceptors	8
H Donors	2
TotalSurfaceArea	296.64
Relative PSA	0.4137
PolarSurfaceArea	165.07
Druglikeness	-2.0342
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	3
Symmetricatoms	1
Amides	2
Aromatic Nitrogens	1
StereoCon

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