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CHEMBRIDGE-ZINC00610412

 MMsINC code: MMs00633287
Type: Neutral
Formula: C9H6Cl2O2
SMILES:   Clc1cc(Cl)c2c(c1O)C(=O)CC2
InChI:   InChI=1/C9H6Cl2O2/c10-5-3-6(11)9(13)8-4(5)1-2-7(8)12/h3,13H,1-2H2

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Potential Energy
Epot(MMFF94)=36.8638 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.051 g/mol  logS: -2.86221  SlogP: 2.82787  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0463679  Sterimol/B1: 2.37399  Sterimol/B2: 2.47173  Sterimol/B3: 4.13961
  Sterimol/B4: 5.64807  Sterimol/L: 10.5768 
 
 Surface and Volume Properties
  Accessible surface: 366.815  Positive charged surface: 154.295  Negative charged surface: 212.52  Volume: 171.375
  Hydrophobic surface: 283.583  Hydrophilic surface: 83.232
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.