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ACROSORGANICS-ZINC04261835

 MMsINC code: MMs00016913
Type: Neutral
Formula: C8H9ClO
SMILES:   Clc1cc(ccc1)CCO
InChI:   InChI=1/C8H9ClO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.5641 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.612 g/mol  logS: -1.95166  SlogP: 1.87477  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0897881  Sterimol/B1: 2.43503  Sterimol/B2: 2.45434  Sterimol/B3: 2.98985
  Sterimol/B4: 5.91465  Sterimol/L: 10.8094 
 
 Surface and Volume Properties
  Accessible surface: 342.665  Positive charged surface: 180.793  Negative charged surface: 161.872  Volume: 149
  Hydrophobic surface: 289.271  Hydrophilic surface: 53.394
 
 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.