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PUBCHEM-ZINC00398452

 MMsINC code: MMs02674730
Type: Neutral
Formula: C13H8Cl3NO2
SMILES:   Clc1cc(OC(=O)Nc2cc(Cl)ccc2)ccc1Cl
InChI:   InChI=1/C13H8Cl3NO2/c14-8-2-1-3-9(6-8)17-13(18)19-10-4-5-11(15)12(16)7-10/h1-7H,(H,17,18)

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Potential Energy
Epot(MMFF94)=59.5437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.571 g/mol  logS: -5.59899  SlogP: 5.2577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0495922  Sterimol/B1: 3.10552  Sterimol/B2: 3.40395  Sterimol/B3: 3.6273
  Sterimol/B4: 5.88198  Sterimol/L: 15.3465 
 
 Surface and Volume Properties
  Accessible surface: 509.784  Positive charged surface: 183.73  Negative charged surface: 326.054  Volume: 251.75
  Hydrophobic surface: 455.283  Hydrophilic surface: 54.501
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.