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

Formula:C21H20N10O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-5-(anilinomethyl)triazole-4-carboxamide is not a drug-like molecule.
MolName1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-5-(anilinomethyl)triazole-4-carboxamide
MolecularFormulaC21H20N10O4
SmilesNC(COc1ccc(/C=N\NC(c2c(CNc3ccccc3)n(-c3nonc3N)nn2)=O)cc1)=O
InChIInChI=1S/C21H20N10O4/c22-17(32)12-34-15-8-6-13(7-9-15)10-25-27-21(33)18-16(11-24-14-4-2-1-3-5-14)31(30-26-18)20-19(23)28-35-29-20/h1-10,24H,11-12H2,(H2,22,32)(H2,23,28)(H,27,33)
InChIKICWJTNXQIMKIMG-UHFFFAOYSA-N
TotalMolweight476.456
Molweight476.456
MonoisotopicMass476.1669
CLogP1.4767
CLogS-2.704
H Acceptors14
H Donors4
TotalSurfaceArea364.21
Relative PSA0.45553
PolarSurfaceArea201.46
Druglikeness2.653
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.57143
Fragments1
Non HAtoms35
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond10
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms3
Symmetricatoms4
Amides1
Amines1
Aromatic Amines1
Aromatic Nitrogens5
StereoCon

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