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CHEMBRIDGE-ZINC04902135

 MMsINC code: MMs00809780
Type: Neutral
Formula: C10H11N3O6
SMILES:   O(C(=O)Nc1cc(NC(OC)=O)ccc1[N+](=O)[O-])C
InChI:   InChI=1/C10H11N3O6/c1-18-9(14)11-6-3-4-8(13(16)17)7(5-6)12-10(15)19-2/h3-5H,1-2H3,(H,11,14)(H,12,15)

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Potential Energy
Epot(MMFF94)=56.3087 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.213 g/mol  logS: -2.73293  SlogP: 1.9514  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0269968  Sterimol/B1: 2.55858  Sterimol/B2: 3.09772  Sterimol/B3: 3.24648
  Sterimol/B4: 7.61069  Sterimol/L: 14.6465 
 
 Surface and Volume Properties
  Accessible surface: 478.58  Positive charged surface: 312.754  Negative charged surface: 165.826  Volume: 221.25
  Hydrophobic surface: 286.962  Hydrophilic surface: 191.618
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.