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PUBCHEM-ZINC03628539

 MMsINC code: MMs03026686
Type: Neutral
Formula: C12H22N2O3
SMILES:   OC(=O)C(N1CCCC1)CC(=O)N(CC)CC
InChI:   InChI=1/C12H22N2O3/c1-3-13(4-2)11(15)9-10(12(16)17)14-7-5-6-8-14/h10H,3-9H2,1-2H3,(H,16,17)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=53.3197 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.319 g/mol  logS: -0.63957  SlogP: 0.7939  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.231035  Sterimol/B1: 2.17064  Sterimol/B2: 4.24497  Sterimol/B3: 5.35599
  Sterimol/B4: 6.56661  Sterimol/L: 12.6687 
 
 Surface and Volume Properties
  Accessible surface: 471.105  Positive charged surface: 351.083  Negative charged surface: 120.022  Volume: 245.75
  Hydrophobic surface: 331.792  Hydrophilic surface: 139.313
 
 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.