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NCID-ZINC01764636

 MMsINC code: MMs02369085
Type: Neutral
Formula: C6H3Cl3O
SMILES:   Clc1c(Cl)cc(O)cc1Cl
InChI:   InChI=1/C6H3Cl3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.9698 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.448 g/mol  logS: -3.2258  SlogP: 3.3524  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0134279  Sterimol/B1: 2.14179  Sterimol/B2: 2.29534  Sterimol/B3: 3.54556
  Sterimol/B4: 5.9473  Sterimol/L: 9.67374 
 
 Surface and Volume Properties
  Accessible surface: 327.871  Positive charged surface: 93.4322  Negative charged surface: 234.439  Volume: 142.75
  Hydrophobic surface: 275.868  Hydrophilic surface: 52.003
 
 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.