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OAKWOOD-ZINC02574159

 MMsINC code: MMs02546558
Type: Neutral
Formula: C10H9ClO
SMILES:   ClC(=O)C1(CC1)c1ccccc1
InChI:   InChI=1/C10H9ClO/c11-9(12)10(6-7-10)8-4-2-1-3-5-8/h1-5H,6-7H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.3112 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.634 g/mol  logS: -2.874  SlogP: 2.7491  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.106094  Sterimol/B1: 3.22281  Sterimol/B2: 3.25226  Sterimol/B3: 3.57331
  Sterimol/B4: 3.98545  Sterimol/L: 11.0516 
 
 Surface and Volume Properties
  Accessible surface: 361.456  Positive charged surface: 146.513  Negative charged surface: 214.943  Volume: 171.5
  Hydrophobic surface: 225.973  Hydrophilic surface: 135.483
 
 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.