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APOLLO-ZINC02156655

 MMsINC code: MMs00050700
Type: Neutral
Formula: C14H9Cl3FN3O2
SMILES:   ClC(NC(=O)Nc1cccnc1Oc1ccc(F)cc1)=C(Cl)Cl
InChI:   InChI=1/C14H9Cl3FN3O2/c15-11(16)12(17)21-14(22)20-10-2-1-7-19-13(10)23-9-5-3-8(18)4-6-9/h1-7H,(H2,20,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.7492 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.602 g/mol  logS: -5.60368  SlogP: 5.1953  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0545528  Sterimol/B1: 2.51744  Sterimol/B2: 3.40335  Sterimol/B3: 3.67597
  Sterimol/B4: 8.65215  Sterimol/L: 17.6633 
 
 Surface and Volume Properties
  Accessible surface: 573.423  Positive charged surface: 245.424  Negative charged surface: 327.999  Volume: 289.625
  Hydrophobic surface: 502.824  Hydrophilic surface: 70.599
 
 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.