[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate

Formula:C21H21N3O8S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate is not a drug-like molecule.

MolName	[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate
MolecularFormula	C21H21N3O8S
Smiles	[O-][N+](c1c(/C=C/C(OCC(Nc(cc2)ccc2S(N2CCOCC2)(=O)=O)=O)=O)cccc1)=O
InChI	InChI=1S/C21H21N3O8S/c25-20(15-32-21(26)10-5-16-3-1-2-4-19(16)24(27)28)22-17-6-8-18(9-7-17)33(29,30)23-11-13-31-14-12-23/h1-10H,11-15H2,(H,22,25)
InChIK	JOKDNCMNOQCSDR-UHFFFAOYSA-N
TotalMolweight	475.477
Molweight	475.477
MonoisotopicMass	475.104937
CLogP	0.8154
CLogS	-3.067
H Acceptors	11
H Donors	1
TotalSurfaceArea	344.33
Relative PSA	0.34876
PolarSurfaceArea	156.21
Druglikeness	-3.6027
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	5
Amides	2
AcidicOxygens	1
StereoCon

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