N-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide

Formula:C29H24N5O7FS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide is not a drug-like molecule.

MolName	N-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
MolecularFormula	C29H24N5O7FS
Smiles	[O-][N+](c(cccc1)c1S(N(CC(N/N=C\c(cc1)ccc1OCC(Nc(cc1)ccc1F)=O)=O)c1ccccc1)(=O)=O)=O
InChI	InChI=1S/C29H24FN5O7S/c30-22-12-14-23(15-13-22)32-29(37)20-42-25-16-10-21(11-17-25)18-31-33-28(36)19-34(24-6-2-1-3-7-24)43(40,41)27-9-5-4-8-26(27)35(38)39/h1-18H,19-20H2,(H,32,37)(H,33,36)
InChIK	RJEKZMKBWNCGNL-UHFFFAOYSA-N
TotalMolweight	605.602
Molweight	605.602
MonoisotopicMass	605.138048
CLogP	2.9524
CLogS	-6.992
H Acceptors	12
H Donors	2
TotalSurfaceArea	442.14
Relative PSA	0.30095
PolarSurfaceArea	171.37
Druglikeness	-0.15118
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55814
Fragments	1
Non HAtoms	43
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	11
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	5
Symmetricatoms	7
Amides	2
AcidicOxygens	1
StereoCon

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1 - N-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide | 2 - N-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide

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