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ACROSORGANICS-ZINC01686934

 MMsINC code: MMs00010917
Type: Neutral
Formula: C9H20O2
SMILES:   OCCCCCCCCCO
InChI:   InChI=1/C9H20O2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.83419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.257 g/mol  logS: -1.5382  SlogP: 1.7017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0313568  Sterimol/B1: 2.11446  Sterimol/B2: 2.3749  Sterimol/B3: 2.37578
  Sterimol/B4: 2.99867  Sterimol/L: 16.6029 
 
 Surface and Volume Properties
  Accessible surface: 426.294  Positive charged surface: 355.074  Negative charged surface: 71.2202  Volume: 187.875
  Hydrophobic surface: 317.809  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.