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ENAMINE-ZINC02651256

 MMsINC code: MMs01275567
Type: Neutral
Formula: C13H7Cl2F3N2O
SMILES:   Clc1ccc(NC(=O)c2ccc(Cl)nc2)cc1C(F)(F)F
InChI:   InChI=1/C13H7Cl2F3N2O/c14-10-3-2-8(5-9(10)13(16,17)18)20-12(21)7-1-4-11(15)19-6-7/h1-6H,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.2889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.112 g/mol  logS: -4.93312  SlogP: 4.971  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0226424  Sterimol/B1: 2.097  Sterimol/B2: 2.94836  Sterimol/B3: 3.46362
  Sterimol/B4: 5.53304  Sterimol/L: 16.3067 
 
 Surface and Volume Properties
  Accessible surface: 495.399  Positive charged surface: 163.745  Negative charged surface: 331.654  Volume: 251.375
  Hydrophobic surface: 341.313  Hydrophilic surface: 154.086
 
 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.