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NCID-ZINC01532735

 MMsINC code: MMs02218886
Type: Neutral
Formula: C8H18O
SMILES:   OCCCCCCCC
InChI:   InChI=1/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-0.230037 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.231 g/mol  logS: -2.49308  SlogP: 2.3392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0430584  Sterimol/B1: 1.48554  Sterimol/B2: 1.77255  Sterimol/B3: 3.26542
  Sterimol/B4: 3.57749  Sterimol/L: 14.4135 
 
 Surface and Volume Properties
  Accessible surface: 377.943  Positive charged surface: 307.384  Negative charged surface: 70.5591  Volume: 161.375
  Hydrophobic surface: 302.105  Hydrophilic surface: 75.838
 
 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.