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APOLLO-ZINC00162386

 MMsINC code: MMs00046644
Type: Neutral
Formula: C9H18O2
SMILES:   OCC1(CCCCC1)CCO
InChI:   InChI=1/C9H18O2/c10-7-6-9(8-11)4-2-1-3-5-9/h10-11H,1-8H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.0875 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.241 g/mol  logS: -1.43616  SlogP: 1.3116  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.328769  Sterimol/B1: 3.34472  Sterimol/B2: 3.35694  Sterimol/B3: 3.4544
  Sterimol/B4: 4.63199  Sterimol/L: 9.4556 
 
 Surface and Volume Properties
  Accessible surface: 355.211  Positive charged surface: 285.386  Negative charged surface: 69.8253  Volume: 169.75
  Hydrophobic surface: 258.774  Hydrophilic surface: 96.437
 
 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.