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NCID-ZINC02042635

 MMsINC code: MMs02379275
Type: Neutral
Formula: C11H20O2
SMILES:   O1C(CCCCCCCCC1=O)C
InChI:   InChI=1/C11H20O2/c1-10-8-6-4-2-3-5-7-9-11(12)13-10/h10H,2-9H2,1H3/t10-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.9379 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.279 g/mol  logS: -3.02287  SlogP: 3.0525  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179755  Sterimol/B1: 2.34919  Sterimol/B2: 3.65595  Sterimol/B3: 4.05925
  Sterimol/B4: 5.44624  Sterimol/L: 10.6726 
 
 Surface and Volume Properties
  Accessible surface: 382.904  Positive charged surface: 278.126  Negative charged surface: 104.778  Volume: 202
  Hydrophobic surface: 331.039  Hydrophilic surface: 51.865
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.