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NCID-ZINC01722424

 MMsINC code: MMs02346907
Type: Neutral
Formula: C9H8Cl2O
SMILES:   ClC(Cl)=CC=1CC(=O)C=CC=1C
InChI:   InChI=1/C9H8Cl2O/c1-6-2-3-8(12)4-7(6)5-9(10)11/h2-3,5H,4H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.5111 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.068 g/mol  logS: -3.46217  SlogP: 3.2598  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0421964  Sterimol/B1: 2.08555  Sterimol/B2: 2.33704  Sterimol/B3: 2.51217
  Sterimol/B4: 7.01049  Sterimol/L: 11.377 
 
 Surface and Volume Properties
  Accessible surface: 365.315  Positive charged surface: 132.785  Negative charged surface: 232.53  Volume: 172.375
  Hydrophobic surface: 308.883  Hydrophilic surface: 56.432
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.