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PUBCHEM-ZINC06039997

 MMsINC code: MMs03508620
Type: Neutral
Formula: C13H25NO
SMILES:   O=C(NC1CCCCCC1)CCCCC
InChI:   InChI=1/C13H25NO/c1-2-3-6-11-13(15)14-12-9-7-4-5-8-10-12/h12H,2-11H2,1H3,(H,14,15)

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Potential Energy
Epot(MMFF94)=21.308 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.349 g/mol  logS: -3.50426  SlogP: 3.4057  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0399308  Sterimol/B1: 2.9182  Sterimol/B2: 3.20768  Sterimol/B3: 3.89073
  Sterimol/B4: 4.06264  Sterimol/L: 16.5973 
 
 Surface and Volume Properties
  Accessible surface: 484.571  Positive charged surface: 382.901  Negative charged surface: 101.669  Volume: 240.875
  Hydrophobic surface: 423.754  Hydrophilic surface: 60.817
 
 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.