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

Formula:C21H17N9O2BrF Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-5-(2,3-dihydroindol-1-ylmethyl)triazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-5-(2,3-dihydroindol-1-ylmethyl)triazole-4-carboxamide
MolecularFormula	C21H17N9O2BrF
Smiles	Nc1nonc1-n1nnc(C(N/N=C\c(cc2)cc(Br)c2F)=O)c1CN(CC1)c2c1cccc2
InChI	InChI=1S/C21H17BrFN9O2/c22-14-9-12(5-6-15(14)23)10-25-27-21(33)18-17(32(30-26-18)20-19(24)28-34-29-20)11-31-8-7-13-3-1-2-4-16(13)31/h1-6,9-10H,7-8,11H2,(H2,24,28)(H,27,33)
InChIK	GVGBURCBDZTEAQ-UHFFFAOYSA-N
TotalMolweight	526.329
Molweight	526.329
MonoisotopicMass	525.06726
CLogP	4.0273
CLogS	-4.308
H Acceptors	11
H Donors	2
TotalSurfaceArea	352.02
Relative PSA	0.34001
PolarSurfaceArea	140.35
Druglikeness	0.27578
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	34
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	4
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	5
StereoCon

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

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