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PUBCHEM-ZINC06753374

 MMsINC code: MMs03850434
Type: Ionized
Formula: C8H11N2O8-
SMILES:   O1C2(NC(=O)N(O)C2=O)C([O-])C(O)C(O)C1CO
InChI:   InChI=1/C8H11N2O8/c11-1-2-3(12)4(13)5(14)8(18-2)6(15)10(17)7(16)9-8/h2-5,11-13,17H,1H2,(H,9,16)/q-1/t2-,3-,4+,5+,8-/m1/s1

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Potential Energy
Epot(MMFF94)=69.4806 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.182 g/mol  logS: 0.44733  SlogP: -3.4643  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.194528  Sterimol/B1: 2.95642  Sterimol/B2: 3.89981  Sterimol/B3: 3.95907
  Sterimol/B4: 6.68639  Sterimol/L: 11.2723 
 
 Surface and Volume Properties
  Accessible surface: 402.9  Positive charged surface: 215.34  Negative charged surface: 187.56  Volume: 194.75
  Hydrophobic surface: 99.8343  Hydrophilic surface: 303.0657
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 7  Acid groups: 1  Basic groups: 0
  Chiral centers: 5
 
 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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MMs03850433
PUBCHEM-ZINC06753374