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ACROSORGANICS-ZINC00388394

 MMsINC code: MMs00006988
Type: Neutral
Formula: C6H4ClFO
SMILES:   Clc1cc(F)ccc1O
InChI:   InChI=1/C6H4ClFO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.9376 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: 0.0146375  Sterimol/B1: 2.15278  Sterimol/B2: 2.23542  Sterimol/B3: 2.67462
  Sterimol/B4: 5.60636  Sterimol/L: 8.68919 
 
 Surface and Volume Properties
  Accessible surface: 288.48  Positive charged surface: 115.511  Negative charged surface: 172.969  Volume: 116.75
  Hydrophobic surface: 242.486  Hydrophilic surface: 45.994
 
 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.