[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] (E)-3-[4-(3-sulfamoylanilino)phenyl]prop-2-enoate

Formula:C24H20N4O5S2 Mutagenic:high Tumorigenic:low Reproductive Effective:none [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] (E)-3-[4-(3-sulfamoylanilino)phenyl]prop-2-enoate is not a drug-like molecule.

MolName	[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] (E)-3-[4-(3-sulfamoylanilino)phenyl]prop-2-enoate
MolecularFormula	C24H20N4O5S2
Smiles	NS(c1cc(Nc2ccc(/C=C/C(OCC(Nc3nc(cccc4)c4s3)=O)=O)cc2)ccc1)(=O)=O
InChI	InChI=1S/C24H20N4O5S2/c25-35(31,32)19-5-3-4-18(14-19)26-17-11-8-16(9-12-17)10-13-23(30)33-15-22(29)28-24-27-20-6-1-2-7-21(20)34-24/h1-14,26H,15H2,(H2,25,31,32)(H,27,28,29)
InChIK	AXOILMKCVINFLR-UHFFFAOYSA-N
TotalMolweight	508.578
Molweight	508.578
MonoisotopicMass	508.087511
CLogP	3.791
CLogS	-5.845
H Acceptors	9
H Donors	3
TotalSurfaceArea	367.86
Relative PSA	0.36476
PolarSurfaceArea	177.1
Druglikeness	-3.4902
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.62857
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Symmetricatoms	3
Amides	2
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
StereoCon

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