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PUBCHEM-ZINC00389637

 MMsINC code: MMs02671428
Type: Neutral
Formula: C11H20O2
SMILES:   O1CCCCCCCCCCC1=O
InChI:   InChI=1/C11H20O2/c12-11-9-7-5-3-1-2-4-6-8-10-13-11/h1-10H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.7617 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.279 g/mol  logS: -3.21088  SlogP: 3.0541  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1814  Sterimol/B1: 2.50452  Sterimol/B2: 2.65158  Sterimol/B3: 3.49475
  Sterimol/B4: 6.88435  Sterimol/L: 10.4048 
 
 Surface and Volume Properties
  Accessible surface: 380.584  Positive charged surface: 292.712  Negative charged surface: 87.8722  Volume: 204.875
  Hydrophobic surface: 347.801  Hydrophilic surface: 32.783
 
 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.