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APOLLO-ZINC02512523

 MMsINC code: MMs00052491
Type: Neutral
Formula: C7H6ClFO
SMILES:   Clc1ccc(cc1F)CO
InChI:   InChI=1/C7H6ClFO/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.6868 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: 0.0522743  Sterimol/B1: 2.22862  Sterimol/B2: 2.45728  Sterimol/B3: 2.88131
  Sterimol/B4: 5.0241  Sterimol/L: 10.8966 
 
 Surface and Volume Properties
  Accessible surface: 321.812  Positive charged surface: 150.908  Negative charged surface: 170.904  Volume: 134.125
  Hydrophobic surface: 257.847  Hydrophilic surface: 63.965
 
 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.