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PUBCHEM-ZINC06437420

MMsINC code: MMs03727908

Type: Neutral
Formula: C6H11N3O5
SMILES:   O(C(=O)CN(N=O)C)CC(N)C(O)=O
InChI:   InChI=1/C6H11N3O5/c1-9(8-13)2-5(10)14-3-4(7)6(11)12/h4H,2-3,7H2,1H3,(H,11,12)/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=54.4957 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.17 g/mol  logS: 0.1138  SlogP: -1.4453  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0633745  Sterimol/B1: 2.6559  Sterimol/B2: 2.8125  Sterimol/B3: 3.67886
  Sterimol/B4: 4.59743  Sterimol/L: 12.9244 
 
 Surface and Volume Properties
  Accessible surface: 408.685  Positive charged surface: 262.235  Negative charged surface: 146.45  Volume: 170.875
  Hydrophobic surface: 224.559  Hydrophilic surface: 184.126
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.