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NCID-ZINC01709626

 MMsINC code: MMs02337005
Type: Neutral
Formula: C6H11NO4
SMILES:   O(C(=O)C(N)CC(O)=O)CC
InChI:   InChI=1/C6H11NO4/c1-2-11-6(10)4(7)3-5(8)9/h4H,2-3,7H2,1H3,(H,8,9)/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=18.5957 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 161.157 g/mol  logS: 0.10496  SlogP: -0.6485  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0704166  Sterimol/B1: 2.67371  Sterimol/B2: 2.67397  Sterimol/B3: 3.21828
  Sterimol/B4: 4.67339  Sterimol/L: 12.1566 
 
 Surface and Volume Properties
  Accessible surface: 360.076  Positive charged surface: 245.29  Negative charged surface: 114.786  Volume: 147.625
  Hydrophobic surface: 159.781  Hydrophilic surface: 200.295
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.