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PUBCHEM-ZINC05641239

 MMsINC code: MMs03332421
Type: Ionized
Formula: C10H10N3O3-
SMILES:   O=C([O-])C(NC(=O)N=Nc1ccccc1)C
InChI:   InChI=1/C10H11N3O3/c1-7(9(14)15)11-10(16)13-12-8-5-3-2-4-6-8/h2-7H,1H3,(H,11,16)(H,14,15)/p-1/b13-12+/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=34.4223 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.208 g/mol  logS: -2.26585  SlogP: 0.6183  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0675961  Sterimol/B1: 2.63335  Sterimol/B2: 3.53721  Sterimol/B3: 4.18928
  Sterimol/B4: 4.53134  Sterimol/L: 14.5144 
 
 Surface and Volume Properties
  Accessible surface: 447.133  Positive charged surface: 228.987  Negative charged surface: 218.145  Volume: 202
  Hydrophobic surface: 280.931  Hydrophilic surface: 166.202
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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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MMs03332420
PUBCHEM-ZINC05641239