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

Formula:C18H20N9O2F Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-5-(piperidin-1-ylmethyl)triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-5-(piperidin-1-ylmethyl)triazole-4-carboxamide
MolecularFormula	C18H20N9O2F
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c(cccc2)c2F)=O)c1CN1CCCCC1
InChI	InChI=1S/C18H20FN9O2/c19-13-7-3-2-6-12(13)10-21-23-18(29)15-14(11-27-8-4-1-5-9-27)28(26-22-15)17-16(20)24-30-25-17/h2-3,6-7,10H,1,4-5,8-9,11H2,(H2,20,24)(H,23,29)
InChIK	OZRABHFOOOPICY-UHFFFAOYSA-N
TotalMolweight	413.416
Molweight	413.416
MonoisotopicMass	413.172399
CLogP	2.6061
CLogS	-2.236
H Acceptors	11
H Donors	2
TotalSurfaceArea	314.91
Relative PSA	0.38008
PolarSurfaceArea	140.35
Druglikeness	0.44963
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	7
Symmetricatoms	2
Amines	1
AlkylAmines	1
Aromatic Nitrogens	5
BasicNitrogens	1
StereoCon

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

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