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1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide

Formula:C26H21N8O4F Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide is not a drug-like molecule.
MolName1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-5-(phenoxymethyl)triazole-4-carboxamide
MolecularFormulaC26H21N8O4F
SmilesNc1nonc1-n1nnc(C(N/N=C\c(cc2)ccc2OCc(cc2)ccc2F)=O)c1COc1ccccc1
InChIInChI=1S/C26H21FN8O4/c27-19-10-6-18(7-11-19)15-37-21-12-8-17(9-13-21)14-29-31-26(36)23-22(16-38-20-4-2-1-3-5-20)35(34-30-23)25-24(28)32-39-33-25/h1-14H,15-16H2,(H2,28,32)(H,31,36)
InChIKZXLIZQLAAJZZOT-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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