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ACROSORGANICS-ZINC01600122

 MMsINC code: MMs00009786
Type: Neutral
Formula: C10H14O
SMILES:   Oc1ccc(cc1)CCCC
InChI:   InChI=1/C10H14O/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8,11H,2-4H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.5038 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.221 g/mol  logS: -3.04251  SlogP: 2.73477  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0786396  Sterimol/B1: 2.0939  Sterimol/B2: 3.62185  Sterimol/B3: 3.62199
  Sterimol/B4: 3.93352  Sterimol/L: 13.1629 
 
 Surface and Volume Properties
  Accessible surface: 378.021  Positive charged surface: 253.183  Negative charged surface: 124.838  Volume: 167.625
  Hydrophobic surface: 302.219  Hydrophilic surface: 75.802
 
 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.