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PUBCHEM-ZINC02013559

 MMsINC code: MMs02850623
Type: Neutral
Formula: C10H22O
SMILES:   OCCCCCCCC(C)C
InChI:   InChI=1/C10H22O/c1-10(2)8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.62509 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.285 g/mol  logS: -3.52352  SlogP: 2.9753  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0415129  Sterimol/B1: 2.43039  Sterimol/B2: 2.86179  Sterimol/B3: 2.99899
  Sterimol/B4: 4.3436  Sterimol/L: 15.6572 
 
 Surface and Volume Properties
  Accessible surface: 430.372  Positive charged surface: 351.785  Negative charged surface: 78.5872  Volume: 196
  Hydrophobic surface: 336.552  Hydrophilic surface: 93.82
 
 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.