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CHEMBRIDGE-ZINC04868352

 MMsINC code: MMs00806357
Type: Neutral
Formula: C11H6ClFO3
SMILES:   Clc1cc(ccc1F)-c1oc(cc1)C(O)=O
InChI:   InChI=1/C11H6ClFO3/c12-7-5-6(1-2-8(7)13)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.3662 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.617 g/mol  logS: -4.5303  SlogP: 3.4373  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.87836e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09923  Sterimol/B3: 2.82413
  Sterimol/B4: 5.34246  Sterimol/L: 13.2255 
 
 Surface and Volume Properties
  Accessible surface: 415.122  Positive charged surface: 171.499  Negative charged surface: 243.623  Volume: 196.25
  Hydrophobic surface: 305.912  Hydrophilic surface: 109.21
 
 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


MMs00806358
CHEMBRIDGE-ZINC04868352