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ACROSORGANICS-ZINC00396125

 MMsINC code: MMs00007514
Type: Ionized
Formula: C7H2ClF2O2-
SMILES:   Clc1cc(F)c(cc1F)C(=O)[O-]
InChI:   InChI=1/C7H3ClF2O2/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2H,(H,11,12)/p-1

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Potential Energy
Epot(MMFF94)=19.3778 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 191.54 g/mol  logS: -2.93898  SlogP: 0.9817  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00573485  Sterimol/B1: 2.16183  Sterimol/B2: 2.19746  Sterimol/B3: 2.6011
  Sterimol/B4: 5.06944  Sterimol/L: 10.5386 
 
 Surface and Volume Properties
  Accessible surface: 314.818  Positive charged surface: 85.5317  Negative charged surface: 229.286  Volume: 136.375
  Hydrophobic surface: 228.643  Hydrophilic surface: 86.175
 
 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:


MMs00007513
ACROSORGANICS-ZINC00396125