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ACROSORGANICS-ZINC00155670

 MMsINC code: MMs00005206
Type: Neutral
Formula: C10H8Cl2O2
SMILES:   Clc1cc(Cl)ccc1C1(CC1)C(O)=O
InChI:   InChI=1/C10H8Cl2O2/c11-6-1-2-7(8(12)5-6)10(3-4-10)9(13)14/h1-2,5H,3-4H2,(H,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.7137 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.078 g/mol  logS: -3.18583  SlogP: 3.1096  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.289668  Sterimol/B1: 2.39623  Sterimol/B2: 3.32189  Sterimol/B3: 4.58714
  Sterimol/B4: 5.83031  Sterimol/L: 11.522 
 
 Surface and Volume Properties
  Accessible surface: 391.727  Positive charged surface: 162.305  Negative charged surface: 229.422  Volume: 194.5
  Hydrophobic surface: 280.451  Hydrophilic surface: 111.276
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00005207
ACROSORGANICS-ZINC00155670