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PUBCHEM-ZINC06070848

 MMsINC code: MMs03523691
Type: Neutral
Formula: C11H16O
SMILES:   OCCCCc1ccc(cc1)C
InChI:   InChI=1/C11H16O/c1-10-5-7-11(8-6-10)4-2-3-9-12/h5-8,12H,2-4,9H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.2586 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.248 g/mol  logS: -2.40828  SlogP: 2.30999  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0711707  Sterimol/B1: 2.24695  Sterimol/B2: 3.61614  Sterimol/B3: 3.62023
  Sterimol/B4: 3.87848  Sterimol/L: 14.2762 
 
 Surface and Volume Properties
  Accessible surface: 411.324  Positive charged surface: 282.496  Negative charged surface: 128.828  Volume: 185.375
  Hydrophobic surface: 357.416  Hydrophilic surface: 53.908
 
 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.