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APOLLO-ZINC00163242

 MMsINC code: MMs00047062
Type: Neutral
Formula: C15H12ClF3N2O2
SMILES:   Clc1ncc(C(=O)NCc2ccc(OC)cc2)c(c1)C(F)(F)F
InChI:   InChI=1/C15H12ClF3N2O2/c1-23-10-4-2-9(3-5-10)7-21-14(22)11-8-20-13(16)6-12(11)15(17,18)19/h2-6,8H,7H2,1H3,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.72 g/mol  logS: -4.19325  SlogP: 4.2703  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0581663  Sterimol/B1: 2.89655  Sterimol/B2: 4.58549  Sterimol/B3: 4.64966
  Sterimol/B4: 4.83671  Sterimol/L: 16.5744 
 
 Surface and Volume Properties
  Accessible surface: 552.196  Positive charged surface: 275.331  Negative charged surface: 276.865  Volume: 279.875
  Hydrophobic surface: 396.502  Hydrophilic surface: 155.694
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.