[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoate

Formula:C24H20N2O8F2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoate is not a drug-like molecule.

MolName	[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoate
MolecularFormula	C24H20N2O8F2S2
Smiles	NS(c1cccc(NS(c2ccc(/C=C/C(OCC(c(cc3)ccc3OC(F)F)=O)=O)cc2)(=O)=O)c1)(=O)=O
InChI	InChI=1S/C24H20F2N2O8S2/c25-24(26)36-19-9-7-17(8-10-19)22(29)15-35-23(30)13-6-16-4-11-20(12-5-16)38(33,34)28-18-2-1-3-21(14-18)37(27,31)32/h1-14,24,28H,15H2,(H2,27,31,32)
InChIK	CPQZYLNMDMYCLL-UHFFFAOYSA-N
TotalMolweight	566.557
Molweight	566.557
MonoisotopicMass	566.062914
CLogP	2.0942
CLogS	-5.597
H Acceptors	10
H Donors	2
TotalSurfaceArea	390.88
Relative PSA	0.33251
PolarSurfaceArea	175.69
Druglikeness	-3.9573
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.63158
Fragments	1
Non HAtoms	38
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	11
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	7
Amides	2
StereoCon

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