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NCID-ZINC01608803

 MMsINC code: MMs02260190
Type: Neutral
Formula: C10H17NO4
SMILES:   O(C(=O)C(N1CC1)CC(OCC)=O)CC
InChI:   InChI=1/C10H17NO4/c1-3-14-9(12)7-8(11-5-6-11)10(13)15-4-2/h8H,3-7H2,1-2H3/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=42.3622 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.249 g/mol  logS: -0.98995  SlogP: 0.1869  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0555675  Sterimol/B1: 2.86734  Sterimol/B2: 3.04044  Sterimol/B3: 3.25684
  Sterimol/B4: 6.87171  Sterimol/L: 14.7333 
 
 Surface and Volume Properties
  Accessible surface: 469.815  Positive charged surface: 338.291  Negative charged surface: 131.524  Volume: 213
  Hydrophobic surface: 364.24  Hydrophilic surface: 105.575
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.