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OAKWOOD-ZINC02574154

 MMsINC code: MMs02546554
Type: Neutral
Formula: C8H5ClF2O
SMILES:   ClC(=O)Cc1cc(F)ccc1F
InChI:   InChI=1/C8H5ClF2O/c9-8(12)4-5-3-6(10)1-2-7(5)11/h1-3H,4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.3649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.576 g/mol  logS: -3.16246  SlogP: 2.53817  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.102277  Sterimol/B1: 2.88613  Sterimol/B2: 3.34157  Sterimol/B3: 3.72266
  Sterimol/B4: 3.86245  Sterimol/L: 11.2769 
 
 Surface and Volume Properties
  Accessible surface: 341.327  Positive charged surface: 123.61  Negative charged surface: 217.717  Volume: 149.875
  Hydrophobic surface: 230.973  Hydrophilic surface: 110.354
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.