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PUBCHEM-ZINC05460696

 MMsINC code: MMs03276446
Type: Neutral
Formula: C13H25NO
SMILES:   O=C(N1CCC(CC1)C)CCCCCC
InChI:   InChI=1/C13H25NO/c1-3-4-5-6-7-13(15)14-10-8-12(2)9-11-14/h12H,3-11H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.064 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.349 g/mol  logS: -3.1965  SlogP: 3.2153  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0430793  Sterimol/B1: 2.89408  Sterimol/B2: 3.62591  Sterimol/B3: 3.92591
  Sterimol/B4: 4.13631  Sterimol/L: 16.974 
 
 Surface and Volume Properties
  Accessible surface: 488.955  Positive charged surface: 394.07  Negative charged surface: 94.8848  Volume: 244.25
  Hydrophobic surface: 414.829  Hydrophilic surface: 74.126
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.