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PUBCHEM-ZINC02160429

 MMsINC code: MMs02877876
Type: Neutral
Formula: C11H16O
SMILES:   O(CCCC)c1ccccc1C
InChI:   InChI=1/C11H16O/c1-3-4-9-12-11-8-6-5-7-10(11)2/h5-8H,3-4,9H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.3906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.248 g/mol  logS: -2.63993  SlogP: 3.17392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0283267  Sterimol/B1: 2.37829  Sterimol/B2: 2.50834  Sterimol/B3: 4.0111
  Sterimol/B4: 4.76695  Sterimol/L: 13.4833 
 
 Surface and Volume Properties
  Accessible surface: 409.483  Positive charged surface: 280.026  Negative charged surface: 129.457  Volume: 190.625
  Hydrophobic surface: 385.722  Hydrophilic surface: 23.761
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.