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MAYBRIDGE-ZINC04322009

 MMsINC code: MMs02165383
Type: Neutral
Formula: C11H21NO2
SMILES:   OC(=O)CC1(CCCCC1)CN(C)C
InChI:   InChI=1/C11H21NO2/c1-12(2)9-11(8-10(13)14)6-4-3-5-7-11/h3-9H2,1-2H3,(H,13,14)

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Potential Energy
Epot(MMFF94)=63.7117 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -1.41512  SlogP: 1.9732  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.281482  Sterimol/B1: 3.46137  Sterimol/B2: 4.12802  Sterimol/B3: 4.17304
  Sterimol/B4: 5.64227  Sterimol/L: 10.3633 
 
 Surface and Volume Properties
  Accessible surface: 399.797  Positive charged surface: 327.499  Negative charged surface: 72.2982  Volume: 210.375
  Hydrophobic surface: 322.324  Hydrophilic surface: 77.473
 
 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.