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PUBCHEM-ZINC05307954

 MMsINC code: MMs03236127
Type: Neutral
Formula: C12H23NO
SMILES:   O=C(NC1CCCCCCC1)CCC
InChI:   InChI=1/C12H23NO/c1-2-8-12(14)13-11-9-6-4-3-5-7-10-11/h11H,2-10H2,1H3,(H,13,14)

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Potential Energy
Epot(MMFF94)=66.9847 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.322 g/mol  logS: -2.98904  SlogP: 3.0156  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121738  Sterimol/B1: 3.49903  Sterimol/B2: 4.00721  Sterimol/B3: 4.15512
  Sterimol/B4: 4.16933  Sterimol/L: 13.3961 
 
 Surface and Volume Properties
  Accessible surface: 435.936  Positive charged surface: 336.74  Negative charged surface: 99.1964  Volume: 222.125
  Hydrophobic surface: 376.824  Hydrophilic surface: 59.112
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.