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NCID-ZINC01731573

 MMsINC code: MMs02354393
Type: Ionized
Formula: C9H10N3O2-
SMILES:   O=C([O-])c1cc(N=NN(C)C)ccc1
InChI:   InChI=1/C9H11N3O2/c1-12(2)11-10-8-5-3-4-7(6-8)9(13)14/h3-6H,1-2H3,(H,13,14)/p-1/b11-10+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.8861 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.198 g/mol  logS: -1.45654  SlogP: 0.6104  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0769923  Sterimol/B1: 2.34967  Sterimol/B2: 3.69133  Sterimol/B3: 4.41114
  Sterimol/B4: 5.21527  Sterimol/L: 12.5415 
 
 Surface and Volume Properties
  Accessible surface: 410.489  Positive charged surface: 261.907  Negative charged surface: 148.583  Volume: 184.125
  Hydrophobic surface: 320.296  Hydrophilic surface: 90.193
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Parent related molecule:


MMs02354392
NCID-ZINC01731573