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APOLLO-ZINC00159302

 MMsINC code: MMs00045364
Type: Neutral
Formula: C10H6Cl3F3N2O
SMILES:   ClC(NC(=O)Nc1ccccc1C(F)(F)F)=C(Cl)Cl
InChI:   InChI=1/C10H6Cl3F3N2O/c11-7(12)8(13)18-9(19)17-6-4-2-1-3-5(6)10(14,15)16/h1-4H,(H2,17,18,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.8319 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.524 g/mol  logS: -5.52942  SlogP: 5.1992  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0229602  Sterimol/B1: 2.63973  Sterimol/B2: 2.85217  Sterimol/B3: 3.33937
  Sterimol/B4: 5.51626  Sterimol/L: 14.3534 
 
 Surface and Volume Properties
  Accessible surface: 473.902  Positive charged surface: 120.66  Negative charged surface: 353.241  Volume: 233.25
  Hydrophobic surface: 326.402  Hydrophilic surface: 147.5
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.