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ACROSORGANICS-ZINC01586758

 MMsINC code: MMs00009584
Type: Neutral
Formula: C10H14O
SMILES:   O(CCCC)c1ccccc1
InChI:   InChI=1/C10H14O/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.481 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.221 g/mol  logS: -2.47946  SlogP: 2.8655  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0242122  Sterimol/B1: 2.37605  Sterimol/B2: 2.37655  Sterimol/B3: 3.79185
  Sterimol/B4: 4.00282  Sterimol/L: 13.5439 
 
 Surface and Volume Properties
  Accessible surface: 384.476  Positive charged surface: 256.939  Negative charged surface: 127.537  Volume: 168.875
  Hydrophobic surface: 355.069  Hydrophilic surface: 29.407
 
 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.