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ACROSORGANICS-ZINC02510753

 MMsINC code: MMs00013751
Type: Neutral
Formula: C7H6ClFO
SMILES:   Clc1cc(cc(F)c1)CO
InChI:   InChI=1/C7H6ClFO/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.8498 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: 0.0544716  Sterimol/B1: 2.23888  Sterimol/B2: 2.73468  Sterimol/B3: 2.87005
  Sterimol/B4: 5.86551  Sterimol/L: 9.68513 
 
 Surface and Volume Properties
  Accessible surface: 320.783  Positive charged surface: 145.051  Negative charged surface: 175.732  Volume: 136.375
  Hydrophobic surface: 257.337  Hydrophilic surface: 63.446
 
 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.