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NCID-ZINC01672960

 MMsINC code: MMs02308981
Type: Neutral
Formula: C11H24O2
SMILES:   OCCCCCCCCCCCO
InChI:   InChI=1/C11H24O2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.84391 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.311 g/mol  logS: -2.56864  SlogP: 2.4819  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0229068  Sterimol/B1: 2.11448  Sterimol/B2: 2.37507  Sterimol/B3: 2.37582
  Sterimol/B4: 2.99867  Sterimol/L: 19.1013 
 
 Surface and Volume Properties
  Accessible surface: 486.632  Positive charged surface: 408.083  Negative charged surface: 78.5486  Volume: 222.75
  Hydrophobic surface: 378.147  Hydrophilic surface: 108.485
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.