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ACROSORGANICS-ZINC00155670

 MMsINC code: MMs00005207
Type: Ionized
Formula: C10H7Cl2O2-
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)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.5589 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.07 g/mol  logS: -3.44628  SlogP: 1.7749  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.181118  Sterimol/B1: 2.44746  Sterimol/B2: 3.15935  Sterimol/B3: 3.95874
  Sterimol/B4: 6.0541  Sterimol/L: 11.37 
 
 Surface and Volume Properties
  Accessible surface: 390.418  Positive charged surface: 137.28  Negative charged surface: 253.138  Volume: 192.75
  Hydrophobic surface: 286.978  Hydrophilic surface: 103.44
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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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Parent related molecule:


MMs00005206
ACROSORGANICS-ZINC00155670