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PUBCHEM-ZINC05460895

 MMsINC code: MMs03276490
Type: Neutral
Formula: C13H25NO
SMILES:   O=C(NC1CCCCC1)CCCCCC
InChI:   InChI=1/C13H25NO/c1-2-3-4-8-11-13(15)14-12-9-6-5-7-10-12/h12H,2-11H2,1H3,(H,14,15)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.90753 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: 0.0346607  Sterimol/B1: 2.91854  Sterimol/B2: 3.31563  Sterimol/B3: 3.46726
  Sterimol/B4: 4.15654  Sterimol/L: 17.5573 
 
 Surface and Volume Properties
  Accessible surface: 499.233  Positive charged surface: 402.523  Negative charged surface: 96.7098  Volume: 243.25
  Hydrophobic surface: 435.406  Hydrophilic surface: 63.827
 
 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.