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CHEMBRIDGE-ZINC02753450

MMsINC code: MMs00715378

Type: Neutral
Formula: C21H15ClF3NO
SMILES:   Clc1ccc(cc1NC(=O)C(c1ccccc1)c1ccccc1)C(F)(F)F
InChI:   InChI=1/C21H15ClF3NO/c22-17-12-11-16(21(23,24)25)13-18(17)26-20(27)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=126.29 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.804 g/mol  logS: -6.84964  SlogP: 6.4409  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134356  Sterimol/B1: 2.37549  Sterimol/B2: 3.26695  Sterimol/B3: 4.7772
  Sterimol/B4: 9.27733  Sterimol/L: 13.3484 
 
 Surface and Volume Properties
  Accessible surface: 599.37  Positive charged surface: 253.301  Negative charged surface: 346.069  Volume: 337.875
  Hydrophobic surface: 474.72  Hydrophilic surface: 124.65
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.