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APOLLO-ZINC02382236

 MMsINC code: MMs00051793
Type: Neutral
Formula: C7H6ClFO
SMILES:   Clc1cccc(CO)c1F
InChI:   InChI=1/C7H6ClFO/c8-6-3-1-2-5(4-10)7(6)9/h1-3,10H,4H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.413 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.575 g/mol  logS: -2.18517  SlogP: 2.2378  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0235292  Sterimol/B1: 2.37315  Sterimol/B2: 2.37695  Sterimol/B3: 2.51265
  Sterimol/B4: 5.67533  Sterimol/L: 9.97374 
 
 Surface and Volume Properties
  Accessible surface: 316.349  Positive charged surface: 150.167  Negative charged surface: 166.182  Volume: 135.375
  Hydrophobic surface: 259.854  Hydrophilic surface: 56.495
 
 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.