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PUBCHEM-ZINC02013709

 MMsINC code: MMs02850715
Type: Neutral
Formula: C10H11N3O6
SMILES:   O1CCOC1(C(=O)N\N=C\c1oc([N+](=O)[O-])cc1)C
InChI:   InChI=1/C10H11N3O6/c1-10(17-4-5-18-10)9(14)12-11-6-7-2-3-8(19-7)13(15)16/h2-3,6H,4-5H2,1H3,(H,12,14)/b11-6+

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Potential Energy
Epot(MMFF94)=107.947 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.213 g/mol  logS: -3.4406  SlogP: 0.4009  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0511181  Sterimol/B1: 2.2594  Sterimol/B2: 2.52858  Sterimol/B3: 4.7633
  Sterimol/B4: 6.18411  Sterimol/L: 15.949 
 
 Surface and Volume Properties
  Accessible surface: 488.409  Positive charged surface: 275.118  Negative charged surface: 213.292  Volume: 222.25
  Hydrophobic surface: 262.566  Hydrophilic surface: 225.843
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.