2-[3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-triazol-1-yl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide

Formula:C15H11N11O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-[3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-triazol-1-yl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-triazol-1-yl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
MolecularFormula	C15H11N11O3Cl2
Smiles	Nc1nonc1-c1nc(-c2nonc2N)nn1CC(N/N=C\c(ccc(Cl)c1)c1Cl)=O
InChI	InChI=1S/C15H11Cl2N11O3/c16-7-2-1-6(8(17)3-7)4-20-22-9(29)5-28-15(11-13(19)27-31-25-11)21-14(23-28)10-12(18)26-30-24-10/h1-4H,5H2,(H2,18,26)(H2,19,27)(H,22,29)
InChIK	BKXPKRWQJHPJKZ-UHFFFAOYSA-N
TotalMolweight	464.232
Molweight	464.232
MonoisotopicMass	463.042338
CLogP	1.6856
CLogS	-5.166
H Acceptors	14
H Donors	3
TotalSurfaceArea	329.29
Relative PSA	0.50855
PolarSurfaceArea	202.05
Druglikeness	6.8438
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	16
Electronegative Atoms	16
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Aromatic Nitrogens	7
StereoCon

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1 - 2-[3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-triazol-1-yl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide | 2 - 2-[3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-triazol-1-yl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide

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