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IFLAB-ZINC02456676

 MMsINC code: MMs01989856
Type: Neutral
Formula: C10H18N2O3
SMILES:   OC(=O)C(=O)N1CCN(CC1)C(CC)C
InChI:   InChI=1/C10H18N2O3/c1-3-8(2)11-4-6-12(7-5-11)9(13)10(14)15/h8H,3-7H2,1-2H3,(H,14,15)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=83.8454 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.265 g/mol  logS: -0.55588  SlogP: 0.0137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.184901  Sterimol/B1: 2.41032  Sterimol/B2: 2.58804  Sterimol/B3: 4.90167
  Sterimol/B4: 4.98691  Sterimol/L: 12.4869 
 
 Surface and Volume Properties
  Accessible surface: 415.912  Positive charged surface: 299.665  Negative charged surface: 116.248  Volume: 208.5
  Hydrophobic surface: 244.96  Hydrophilic surface: 170.952
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.