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PUBCHEM-ZINC00401677

 MMsINC code: MMs02675861
Type: Neutral
Formula: C13H9Cl3N2O2
SMILES:   Clc1cc(NC(=O)Nc2cc(Cl)ccc2O)ccc1Cl
InChI:   InChI=1/C13H9Cl3N2O2/c14-7-1-4-12(19)11(5-7)18-13(20)17-8-2-3-9(15)10(16)6-8/h1-6,19H,(H2,17,18,20)

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Potential Energy
Epot(MMFF94)=60.3055 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.586 g/mol  logS: -5.09297  SlogP: 4.9964  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0474688  Sterimol/B1: 2.29634  Sterimol/B2: 4.32834  Sterimol/B3: 4.59433
  Sterimol/B4: 4.80795  Sterimol/L: 15.5516 
 
 Surface and Volume Properties
  Accessible surface: 521.02  Positive charged surface: 206.436  Negative charged surface: 314.584  Volume: 262
  Hydrophobic surface: 421.867  Hydrophilic surface: 99.153
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  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.