2-[[(E)-2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid

Formula:C21H15N3O6S Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[[(E)-2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid is a drug-like molecule.

MolName	2-[[(E)-2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid
MolecularFormula	C21H15N3O6S
Smiles	NS(c(cc1)ccc1-c1ccc(/C=C(/C(Nc(cccc2)c2C(O)=O)=O)\C#N)o1)(=O)=O
InChI	InChI=1S/C21H15N3O6S/c22-12-14(20(25)24-18-4-2-1-3-17(18)21(26)27)11-15-7-10-19(30-15)13-5-8-16(9-6-13)31(23,28)29/h1-11H,(H,24,25)(H,26,27)(H2,23,28,29)
InChIK	AZKKSEZBSLUNBI-UHFFFAOYSA-N
TotalMolweight	437.431
Molweight	437.431
MonoisotopicMass	437.068157
CLogP	2.1763
CLogS	-5.142
H Acceptors	9
H Donors	3
TotalSurfaceArea	319.3
Relative PSA	0.38259
PolarSurfaceArea	171.87
Druglikeness	1.5618
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	3
Amides	2
AcidicOxygens	1
StereoCon

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1 - 2-[[(E)-2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid | 2 - 2-[[(E)-2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid

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