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PUBCHEM-ZINC02390984

 MMsINC code: MMs02887040
Type: Neutral
Formula: C9H18N2O3
SMILES:   OC(=O)CCNC(=O)C(N)CC(C)C
InChI:   InChI=1/C9H18N2O3/c1-6(2)5-7(10)9(14)11-4-3-8(12)13/h6-7H,3-5,10H2,1-2H3,(H,11,14)(H,12,13)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=23.6484 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.254 g/mol  logS: -0.89165  SlogP: -0.0493  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0818635  Sterimol/B1: 2.37503  Sterimol/B2: 2.50906  Sterimol/B3: 4.61246
  Sterimol/B4: 5.30691  Sterimol/L: 14.5055 
 
 Surface and Volume Properties
  Accessible surface: 441.503  Positive charged surface: 303.406  Negative charged surface: 138.097  Volume: 202.875
  Hydrophobic surface: 209.151  Hydrophilic surface: 232.352
 
 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.