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OAKWOOD-ZINC02572708

 MMsINC code: MMs02546446
Type: Ionized
Formula: C11H23N2O2+
SMILES:   O(C(C)(C)C)C(=O)NC1CCC([NH3+])CC1
InChI:   InChI=1/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h8-9H,4-7,12H2,1-3H3,(H,13,14)/p+1/t8-,9-

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Potential Energy
Epot(MMFF94)=-0.883393 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.317 g/mol  logS: -1.44445  SlogP: 1.0642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0708766  Sterimol/B1: 2.24835  Sterimol/B2: 3.41108  Sterimol/B3: 4.14848
  Sterimol/B4: 4.92888  Sterimol/L: 14.5482 
 
 Surface and Volume Properties
  Accessible surface: 470.264  Positive charged surface: 385.668  Negative charged surface: 84.5965  Volume: 232.25
  Hydrophobic surface: 314.108  Hydrophilic surface: 156.156
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  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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Parent related molecule:


MMs02546445
OAKWOOD-ZINC02572708