1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-anthracen-9-ylmethylideneamino]-5-[(4-fluorophenoxy)methyl]triazole-4-carboxamide

Formula:C27H19N8O3F Mutagenic:high Tumorigenic:high Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-anthracen-9-ylmethylideneamino]-5-[(4-fluorophenoxy)methyl]triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-anthracen-9-ylmethylideneamino]-5-[(4-fluorophenoxy)methyl]triazole-4-carboxamide
MolecularFormula	C27H19N8O3F
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c2c(cccc3)c3cc3ccccc23)=O)c1COc(cc1)ccc1F
InChI	InChI=1S/C27H19FN8O3/c28-18-9-11-19(12-10-18)38-15-23-24(31-35-36(23)26-25(29)33-39-34-26)27(37)32-30-14-22-20-7-3-1-5-16(20)13-17-6-2-4-8-21(17)22/h1-14H,15H2,(H2,29,33)(H,32,37)
InChIK	IUYYNPMYIXKERT-UHFFFAOYSA-N
TotalMolweight	522.499
Molweight	522.499
MonoisotopicMass	522.156415
CLogP	5.5871
CLogS	-6.319
H Acceptors	11
H Donors	2
TotalSurfaceArea	388.27
Relative PSA	0.32488
PolarSurfaceArea	146.34
Druglikeness	0.3808
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.46154
Fragments	1
Non HAtoms	39
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	30
Sp3Atoms	2
Symmetricatoms	8
Aromatic Nitrogens	5
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-anthracen-9-ylmethylideneamino]-5-[(4-fluorophenoxy)methyl]triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-anthracen-9-ylmethylideneamino]-5-[(4-fluorophenoxy)methyl]triazole-4-carboxamide

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