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NCID-ZINC01686944

 MMsINC code: MMs02319719
Type: Neutral
Formula: C10H18N2O3
SMILES:   OC(=O)C(NC1CCCCC1)CC(=O)N
InChI:   InChI=1/C10H18N2O3/c11-9(13)6-8(10(14)15)12-7-4-2-1-3-5-7/h7-8,12H,1-6H2,(H2,11,13)(H,14,15)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=19.6495 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.265 g/mol  logS: -0.98494  SlogP: 0.2373  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131313  Sterimol/B1: 3.29599  Sterimol/B2: 3.54559  Sterimol/B3: 3.70807
  Sterimol/B4: 5.8061  Sterimol/L: 12.0241 
 
 Surface and Volume Properties
  Accessible surface: 418.396  Positive charged surface: 310.549  Negative charged surface: 107.846  Volume: 208.75
  Hydrophobic surface: 237.575  Hydrophilic surface: 180.821
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.