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APOLLO-ZINC02576651

 MMsINC code: MMs00055080
Type: Neutral
Formula: C17H9Cl5N2O2
SMILES:   Clc1cc(Cl)ccc1-c1noc(c1)-c1cc(NC(=O)C(Cl)(Cl)Cl)ccc1
InChI:   InChI=1/C17H9Cl5N2O2/c18-10-4-5-12(13(19)7-10)14-8-15(26-24-14)9-2-1-3-11(6-9)23-16(25)17(20,21)22/h1-8H,(H,23,25)

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Potential Energy
Epot(MMFF94)=117.096 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 450.536 g/mol  logS: -8.90002  SlogP: 7.044  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00982467  Sterimol/B1: 2.56361  Sterimol/B2: 3.12885  Sterimol/B3: 3.59628
  Sterimol/B4: 8.45729  Sterimol/L: 19.8509 
 
 Surface and Volume Properties
  Accessible surface: 635.086  Positive charged surface: 171.528  Negative charged surface: 463.558  Volume: 344.875
  Hydrophobic surface: 407.713  Hydrophilic surface: 227.373
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.