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CHEMBRIDGE-ZINC02967310

 MMsINC code: MMs00743917
Type: Neutral
Formula: C9H18N2O3
SMILES:   O(CCCNC(=O)C(=O)NC(C)C)C
InChI:   InChI=1/C9H18N2O3/c1-7(2)11-9(13)8(12)10-5-4-6-14-3/h7H,4-6H2,1-3H3,(H,10,12)(H,11,13)

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Potential Energy
Epot(MMFF94)=27.6403 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.254 g/mol  logS: -0.93451  SlogP: -0.3363  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0291018  Sterimol/B1: 2.25544  Sterimol/B2: 2.50044  Sterimol/B3: 3.52755
  Sterimol/B4: 4.43514  Sterimol/L: 16.7789 
 
 Surface and Volume Properties
  Accessible surface: 467.667  Positive charged surface: 363.38  Negative charged surface: 104.286  Volume: 204.375
  Hydrophobic surface: 316.559  Hydrophilic surface: 151.108
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.