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CHEMBRIDGE-ZINC02993705

 MMsINC code: MMs00747761
Type: Neutral
Formula: C11H20N2O2
SMILES:   O=C(NC1CCCC1)C(=O)NCC(C)C
InChI:   InChI=1/C11H20N2O2/c1-8(2)7-12-10(14)11(15)13-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,13,15)

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Potential Energy
Epot(MMFF94)=31.6516 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.293 g/mol  logS: -1.62235  SlogP: 0.8174  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0391496  Sterimol/B1: 2.09256  Sterimol/B2: 2.72425  Sterimol/B3: 3.23662
  Sterimol/B4: 4.99037  Sterimol/L: 15.6558 
 
 Surface and Volume Properties
  Accessible surface: 469.256  Positive charged surface: 342.753  Negative charged surface: 126.502  Volume: 223.625
  Hydrophobic surface: 338.948  Hydrophilic surface: 130.308
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.