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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]triazole-4-carboxamide

Formula:C26H21N8O4F Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]triazole-4-carboxamide is not a drug-like molecule.
MolName1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]triazole-4-carboxamide
MolecularFormulaC26H21N8O4F
SmilesNc1nonc1-n1nnc(C(N/N=C\c(cc2)ccc2OCc2ccccc2)=O)c1COc(cc1)ccc1F
InChIInChI=1S/C26H21FN8O4/c27-19-8-12-21(13-9-19)38-16-22-23(30-34-35(22)25-24(28)32-39-33-25)26(36)31-29-14-17-6-10-20(11-7-17)37-15-18-4-2-1-3-5-18/h1-14H,15-16H2,(H2,28,32)(H,31,36)
InChIKMOJGBFIWYZEWSN-UHFFFAOYSA-N
TotalMolweight528.503
Molweight528.503
MonoisotopicMass528.16698
CLogP4.5464
CLogS-4.448
H Acceptors12
H Donors2
TotalSurfaceArea402.59
Relative PSA0.33816
PolarSurfaceArea155.57
Druglikeness0.3808
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.58974
Fragments1
Non HAtoms39
NonCHAtoms13
Electronegative Atoms13
Rotatable Bond10
Rings Closures5
Small Rings5
Aromatic Rings5
Aromatic Atoms28
Sp3Atoms4
Symmetricatoms6
Aromatic Nitrogens5
StereoCon

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