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ACROSORGANICS-ZINC02528046

 MMsINC code: MMs00013951
Type: Neutral
Formula: C8H9ClO
SMILES:   ClCc1ccccc1OC
InChI:   InChI=1/C8H9ClO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,6H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.0633 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.612 g/mol  logS: -2.1741  SlogP: 2.7004  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0670296  Sterimol/B1: 2.34769  Sterimol/B2: 3.58639  Sterimol/B3: 4.6062
  Sterimol/B4: 4.9125  Sterimol/L: 9.50115 
 
 Surface and Volume Properties
  Accessible surface: 344.166  Positive charged surface: 205.648  Negative charged surface: 138.518  Volume: 150.75
  Hydrophobic surface: 262.824  Hydrophilic surface: 81.342
 
 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.