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ACROSORGANICS-ZINC01686987

 MMsINC code: MMs00010922
Type: Neutral
Formula: C8H17ClO
SMILES:   ClCCCCCCCCO
InChI:   InChI=1/C8H17ClO/c9-7-5-3-1-2-4-6-8-10/h10H,1-8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.69848 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.676 g/mol  logS: -1.9908  SlogP: 2.5581  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.042119  Sterimol/B1: 2.18423  Sterimol/B2: 2.375  Sterimol/B3: 2.37617
  Sterimol/B4: 3.26702  Sterimol/L: 15.5477 
 
 Surface and Volume Properties
  Accessible surface: 407.785  Positive charged surface: 291.987  Negative charged surface: 115.798  Volume: 178.625
  Hydrophobic surface: 282.496  Hydrophilic surface: 125.289
 
 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.