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ASINEX-ZINC04894530

 MMsINC code: MMs00397256
Type: Neutral
Formula: C10H20N2O2
SMILES:   O1CCCC1CNCC(=O)NC(C)C
InChI:   InChI=1/C10H20N2O2/c1-8(2)12-10(13)7-11-6-9-4-3-5-14-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=43.6648 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -0.87949  SlogP: 0.2796  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0552756  Sterimol/B1: 2.04187  Sterimol/B2: 2.80952  Sterimol/B3: 4.00499
  Sterimol/B4: 4.61606  Sterimol/L: 15.3971 
 
 Surface and Volume Properties
  Accessible surface: 463.965  Positive charged surface: 368.671  Negative charged surface: 95.2944  Volume: 212.625
  Hydrophobic surface: 349.418  Hydrophilic surface: 114.547
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.