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ACROSORGANICS-ZINC01692499

 MMsINC code: MMs00011139
Type: Neutral
Formula: C9H12O
SMILES:   Oc1ccccc1CCC
InChI:   InChI=1/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.8786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 136.194 g/mol  logS: -2.21384  SlogP: 2.34467  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.083935  Sterimol/B1: 2.44384  Sterimol/B2: 3.02854  Sterimol/B3: 3.64595
  Sterimol/B4: 4.13294  Sterimol/L: 11.0878 
 
 Surface and Volume Properties
  Accessible surface: 341.457  Positive charged surface: 221.387  Negative charged surface: 120.07  Volume: 151.625
  Hydrophobic surface: 277.466  Hydrophilic surface: 63.991
 
 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.