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ACROSORGANICS-ZINC00409351

 MMsINC code: MMs00007979
Type: Neutral
Formula: C6H4ClFO
SMILES:   Clc1ccc(O)cc1F
InChI:   InChI=1/C6H4ClFO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.5292 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.548 g/mol  logS: -2.0522  SlogP: 2.1847  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0139708  Sterimol/B1: 2.14645  Sterimol/B2: 2.29839  Sterimol/B3: 2.50674
  Sterimol/B4: 4.96579  Sterimol/L: 9.66669 
 
 Surface and Volume Properties
  Accessible surface: 291.155  Positive charged surface: 118.515  Negative charged surface: 172.64  Volume: 116.375
  Hydrophobic surface: 239.435  Hydrophilic surface: 51.72
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.