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APOLLO-ZINC03137657

 MMsINC code: MMs00055967
Type: Ionized
Formula: C10H17N2O6-
SMILES:   O=C([O-])C([NH+](CC(=O)[O-])CC(=O)[O-])CCCC[NH3+]
InChI:   InChI=1/C10H18N2O6/c11-4-2-1-3-7(10(17)18)12(5-8(13)14)6-9(15)16/h7H,1-6,11H2,(H,13,14)(H,15,16)(H,17,18)/p-1/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=27.176 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.254 g/mol  logS: -0.50519  SlogP: -7.0982  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.334586  Sterimol/B1: 2.66944  Sterimol/B2: 3.9393  Sterimol/B3: 5.31949
  Sterimol/B4: 5.64944  Sterimol/L: 11.4277 
 
 Surface and Volume Properties
  Accessible surface: 437.23  Positive charged surface: 265.054  Negative charged surface: 172.176  Volume: 231.75
  Hydrophobic surface: 170.775  Hydrophilic surface: 266.455
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 6  Basic groups: 2
  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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Parent related molecule:


MMs00055966
APOLLO-ZINC03137657