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NANOSIN-ZINC01505264

 MMsINC code: MMs02194809
Type: Neutral
Formula: C6H3Cl2FO
SMILES:   Clc1cc(F)c(Cl)cc1O
InChI:   InChI=1/C6H3Cl2FO/c7-3-2-6(10)4(8)1-5(3)9/h1-2,10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.5258 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.993 g/mol  logS: -2.78649  SlogP: 2.8381  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.013882  Sterimol/B1: 2.13502  Sterimol/B2: 2.2508  Sterimol/B3: 2.76037
  Sterimol/B4: 5.47769  Sterimol/L: 8.75167 
 
 Surface and Volume Properties
  Accessible surface: 313.289  Positive charged surface: 97.7936  Negative charged surface: 215.495  Volume: 131.125
  Hydrophobic surface: 267.115  Hydrophilic surface: 46.174
 
 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.