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PUBCHEM-ZINC06753304

 MMsINC code: MMs03850373
Type: Neutral
Formula: C7H14N2O4
SMILES:   OC(=O)C(N)CCCCNC(O)=O
InChI:   InChI=1/C7H14N2O4/c8-5(6(10)11)3-1-2-4-9-7(12)13/h5,9H,1-4,8H2,(H,10,11)(H,12,13)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=-10.3707 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.199 g/mol  logS: 0.27989  SlogP: -0.1638  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.048166  Sterimol/B1: 2.5999  Sterimol/B2: 3.07406  Sterimol/B3: 3.35115
  Sterimol/B4: 3.5987  Sterimol/L: 14.3831 
 
 Surface and Volume Properties
  Accessible surface: 408.312  Positive charged surface: 287.288  Negative charged surface: 121.023  Volume: 175.375
  Hydrophobic surface: 137.345  Hydrophilic surface: 270.967
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 5  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.