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APOLLO-ZINC02155522

 MMsINC code: MMs00050688
Type: Neutral
Formula: C14H8Cl3F2N3O2
SMILES:   ClC(NC(=O)Nc1ccc(Oc2ccc(F)cc2F)nc1)=C(Cl)Cl
InChI:   InChI=1/C14H8Cl3F2N3O2/c15-12(16)13(17)22-14(23)21-8-2-4-11(20-6-8)24-10-3-1-7(18)5-9(10)19/h1-6H,(H2,21,22,23)

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Potential Energy
Epot(MMFF94)=78.4887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.592 g/mol  logS: -5.89866  SlogP: 5.3344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0535209  Sterimol/B1: 2.61081  Sterimol/B2: 3.738  Sterimol/B3: 4.76498
  Sterimol/B4: 4.95956  Sterimol/L: 18.6567 
 
 Surface and Volume Properties
  Accessible surface: 584.895  Positive charged surface: 232.894  Negative charged surface: 352.001  Volume: 294.25
  Hydrophobic surface: 509.567  Hydrophilic surface: 75.328
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1
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Ions/Tautomers related molecules: no related molecules available.