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

Formula:C20H14N8O3F4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]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-(trifluoromethyl)phenyl]methylideneamino]triazole-4-carboxamide
MolecularFormulaC20H14N8O3F4
SmilesNc1nonc1-n1nnc(C(N/N=C\c2ccc(C(F)(F)F)cc2)=O)c1COc(cc1)ccc1F
InChIInChI=1S/C20H14F4N8O3/c21-13-5-7-14(8-6-13)34-10-15-16(27-31-32(15)18-17(25)29-35-30-18)19(33)28-26-9-11-1-3-12(4-2-11)20(22,23)24/h1-9H,10H2,(H2,25,29)(H,28,33)
InChIKUHRWPQYIOBPEIS-UHFFFAOYSA-N
TotalMolweight490.376
Molweight490.376
MonoisotopicMass490.112499
CLogP4.0466
CLogS-3.885
H Acceptors11
H Donors2
TotalSurfaceArea348.53
Relative PSA0.36192
PolarSurfaceArea146.34
Druglikeness-5.4692
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.54286
Fragments1
Non HAtoms35
NonCHAtoms15
Electronegative Atoms15
Rotatable Bond8
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms3
Symmetricatoms6
Aromatic Nitrogens5
StereoCon

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