2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(E)-(3,5-diiodo-2-prop-2-ynoxyphenyl)methylideneamino]acetamide

Formula:C21H15N7O3I2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(E)-(3,5-diiodo-2-prop-2-ynoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(E)-(3,5-diiodo-2-prop-2-ynoxyphenyl)methylideneamino]acetamide
MolecularFormula	C21H15N7O3I2
Smiles	C#CCOc(c(/C=N/NC(Cn1c(-c2nonc2N)nc2c1cccc2)=O)cc(I)c1)c1I
InChI	InChI=1S/C21H15I2N7O3/c1-2-7-32-19-12(8-13(22)9-14(19)23)10-25-27-17(31)11-30-16-6-4-3-5-15(16)26-21(30)18-20(24)29-33-28-18/h1,3-6,8-10H,7,11H2,(H2,24,29)(H,27,31)
InChIK	NNKSWCWAZOSJCF-UHFFFAOYSA-N
TotalMolweight	667.196
Molweight	667.196
MonoisotopicMass	666.932584
CLogP	3.1794
CLogS	-6.417
H Acceptors	10
H Donors	2
TotalSurfaceArea	378.93
Relative PSA	0.30393
PolarSurfaceArea	133.45
Druglikeness	6.8593
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	3
Aromatic Nitrogens	4
BasicNitrogens	1
StereoCon

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1 - 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(E)-(3,5-diiodo-2-prop-2-ynoxyphenyl)methylideneamino]acetamide | 2 - 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(E)-(3,5-diiodo-2-prop-2-ynoxyphenyl)methylideneamino]acetamide

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