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NCID-ZINC01732118

 MMsINC code: MMs02354868
Type: Neutral
Formula: C8H6Cl2O2
SMILES:   Clc1cc(C(Cl)=O)c(O)c(c1)C
InChI:   InChI=1/C8H6Cl2O2/c1-4-2-5(9)3-6(7(4)11)8(10)12/h2-3,11H,1H3

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Potential Energy
Epot(MMFF94)=41.0508 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.04 g/mol  logS: -3.04384  SlogP: 2.73302  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0297633  Sterimol/B1: 2.1097  Sterimol/B2: 2.50382  Sterimol/B3: 3.58286
  Sterimol/B4: 6.23555  Sterimol/L: 10.7582 
 
 Surface and Volume Properties
  Accessible surface: 357.771  Positive charged surface: 131.332  Negative charged surface: 226.439  Volume: 165.25
  Hydrophobic surface: 217.972  Hydrophilic surface: 139.799
 
 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.