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PUBCHEM-ZINC06403169

 MMsINC code: MMs03707774
Type: Neutral
Formula: C9H17N2O4-
SMILES:   O(CC)C(=O)NCCCCC([NH-])C(O)=O
InChI:   InChI=1/C9H17N2O4/c1-2-15-9(14)11-6-4-3-5-7(10)8(12)13/h7,10H,2-6H2,1H3,(H,11,14)(H,12,13)/q-1/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=17.0442 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.245 g/mol  logS: -0.48404  SlogP: 0.6389  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0310195  Sterimol/B1: 2.51146  Sterimol/B2: 2.60067  Sterimol/B3: 3.1087
  Sterimol/B4: 4.41594  Sterimol/L: 17.0574 
 
 Surface and Volume Properties
  Accessible surface: 472.504  Positive charged surface: 331.29  Negative charged surface: 141.214  Volume: 209
  Hydrophobic surface: 242.123  Hydrophilic surface: 230.381
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 1  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.