3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]-5-(piperidin-1-ylmethyl)triazole-4-carboxamide

Formula:C20H23N9O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]-5-(piperidin-1-ylmethyl)triazole-4-carboxamide is not a drug-like molecule.

MolName	3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]-5-(piperidin-1-ylmethyl)triazole-4-carboxamide
MolecularFormula	C20H23N9O2
Smiles	Nc1nonc1-n1nnc(CN2CCCCC2)c1C(N/N=C(\CC1)/c2c1cccc2)=O
InChI	InChI=1S/C20H23N9O2/c21-18-19(26-31-25-18)29-17(16(23-27-29)12-28-10-4-1-5-11-28)20(30)24-22-15-9-8-13-6-2-3-7-14(13)15/h2-3,6-7H,1,4-5,8-12H2,(H2,21,25)(H,24,30)
InChIK	KSBFTSZUUISNNO-UHFFFAOYSA-N
TotalMolweight	421.464
Molweight	421.464
MonoisotopicMass	421.197471
CLogP	2.836
CLogS	-2.601
H Acceptors	11
H Donors	2
TotalSurfaceArea	320.79
Relative PSA	0.37311
PolarSurfaceArea	140.35
Druglikeness	1.1576
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	9
Symmetricatoms	2
Amines	1
AlkylAmines	1
Aromatic Nitrogens	5
BasicNitrogens	1
StereoCon

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1 - 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]-5-(piperidin-1-ylmethyl)triazole-4-carboxamide | 2 - 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]-5-(piperidin-1-ylmethyl)triazole-4-carboxamide

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