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

Formula:C25H26N9O3F Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-(piperidin-1-ylmethyl)triazole-4-carboxamide is not a drug-like molecule.
MolName1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-(piperidin-1-ylmethyl)triazole-4-carboxamide
MolecularFormulaC25H26N9O3F
SmilesNc1nonc1-n1nnc(C(N/N=C\c(cc2)ccc2OCc(cccc2)c2F)=O)c1CN1CCCCC1
InChIInChI=1S/C25H26FN9O3/c26-20-7-3-2-6-18(20)16-37-19-10-8-17(9-11-19)14-28-30-25(36)22-21(15-34-12-4-1-5-13-34)35(33-29-22)24-23(27)31-38-32-24/h2-3,6-11,14H,1,4-5,12-13,15-16H2,(H2,27,31)(H,30,36)
InChIKNYSHZXODIPASKZ-UHFFFAOYSA-N
TotalMolweight519.539
Molweight519.539
MonoisotopicMass519.214264
CLogP3.9542
CLogS-3.577
H Acceptors12
H Donors2
TotalSurfaceArea398.43
Relative PSA0.3255
PolarSurfaceArea149.58
Druglikeness0.18796
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.55263
Fragments1
Non HAtoms38
NonCHAtoms13
Electronegative Atoms13
Rotatable Bond9
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms9
Symmetricatoms4
Amines1
AlkylAmines1
Aromatic Nitrogens5
BasicNitrogens1
StereoCon

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