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ACROSORGANICS-ZINC02168818

 MMsINC code: MMs00013115
Type: Neutral
Formula: C9H11ClO
SMILES:   ClCCc1ccc(OC)cc1
InChI:   InChI=1/C9H11ClO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.9758 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.639 g/mol  logS: -2.23557  SlogP: 2.47647  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0610016  Sterimol/B1: 2.65588  Sterimol/B2: 2.90016  Sterimol/B3: 3.10332
  Sterimol/B4: 4.47084  Sterimol/L: 13.354 
 
 Surface and Volume Properties
  Accessible surface: 376.264  Positive charged surface: 223.048  Negative charged surface: 153.216  Volume: 166.75
  Hydrophobic surface: 292.234  Hydrophilic surface: 84.03
 
 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.