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NCID-ZINC01608442

 MMsINC code: MMs02259909
Type: Neutral
Formula: C14H8Cl2FN3O
SMILES:   Clc1cc(Cl)ccc1-c1oc(nn1)Nc1ccc(F)cc1
InChI:   InChI=1/C14H8Cl2FN3O/c15-8-1-6-11(12(16)7-8)13-19-20-14(21-13)18-10-4-2-9(17)3-5-10/h1-7H,(H,18,20)

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Potential Energy
Epot(MMFF94)=60.8018 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.142 g/mol  logS: -7.33753  SlogP: 4.9261  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00934498  Sterimol/B1: 2.1384  Sterimol/B2: 2.96224  Sterimol/B3: 3.36444
  Sterimol/B4: 5.15066  Sterimol/L: 17.6571 
 
 Surface and Volume Properties
  Accessible surface: 513.759  Positive charged surface: 205.951  Negative charged surface: 307.808  Volume: 259.5
  Hydrophobic surface: 435.898  Hydrophilic surface: 77.861
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.