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ACROSORGANICS-ZINC01574321

 MMsINC code: MMs00009318
Type: Neutral
Formula: C8H18O2
SMILES:   OCCCCCCCCO
InChI:   InChI=1/C8H18O2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.09229 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.23 g/mol  logS: -1.02298  SlogP: 1.3116  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0373358  Sterimol/B1: 2.19241  Sterimol/B2: 2.37495  Sterimol/B3: 2.37594
  Sterimol/B4: 3.11595  Sterimol/L: 15.3549 
 
 Surface and Volume Properties
  Accessible surface: 396.564  Positive charged surface: 329.716  Negative charged surface: 66.8474  Volume: 168.625
  Hydrophobic surface: 288.749  Hydrophilic surface: 107.815
 
 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.