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OAKWOOD-ZINC02572708

 MMsINC code: MMs02546445
Type: Neutral
Formula: C11H22N2O2
SMILES:   O(C(C)(C)C)C(=O)NC1CCC(N)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)/t8-,9-

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Potential Energy
Epot(MMFF94)=10.112 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.309 g/mol  logS: -1.46884  SlogP: 1.781  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0720905  Sterimol/B1: 2.04903  Sterimol/B2: 3.41274  Sterimol/B3: 4.26117
  Sterimol/B4: 4.74978  Sterimol/L: 14.5701 
 
 Surface and Volume Properties
  Accessible surface: 458.535  Positive charged surface: 353.1  Negative charged surface: 105.435  Volume: 225.125
  Hydrophobic surface: 301.806  Hydrophilic surface: 156.729
 
 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


MMs02546446
OAKWOOD-ZINC02572708