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ASINEX-ZINC02126570

 MMsINC code: MMs00264030
Type: Neutral
Formula: C11H16N2O2
SMILES:   O=C1N(CCCC)C(=O)NC2=C1CCC2
InChI:   InChI=1/C11H16N2O2/c1-2-3-7-13-10(14)8-5-4-6-9(8)12-11(13)15/h2-7H2,1H3,(H,12,15)

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Potential Energy
Epot(MMFF94)=-5.95374 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.261 g/mol  logS: -1.7741  SlogP: 1.7763  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0697262  Sterimol/B1: 2.22356  Sterimol/B2: 3.23193  Sterimol/B3: 4.16937
  Sterimol/B4: 4.78986  Sterimol/L: 13.8968 
 
 Surface and Volume Properties
  Accessible surface: 423.55  Positive charged surface: 300.909  Negative charged surface: 122.641  Volume: 204.75
  Hydrophobic surface: 305.498  Hydrophilic surface: 118.052
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.