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CHEMBRIDGE-ZINC00318505

 MMsINC code: MMs00608187
Type: Neutral
Formula: C10H9Cl3FNO
SMILES:   ClC(Cl)(Cl)C(=O)NCCc1ccc(F)cc1
InChI:   InChI=1/C10H9Cl3FNO/c11-10(12,13)9(16)15-6-5-7-1-3-8(14)4-2-7/h1-4H,5-6H2,(H,15,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.8757 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.545 g/mol  logS: -4.29522  SlogP: 3.27447  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0717446  Sterimol/B1: 2.42163  Sterimol/B2: 2.79662  Sterimol/B3: 3.88536
  Sterimol/B4: 4.818  Sterimol/L: 14.755 
 
 Surface and Volume Properties
  Accessible surface: 466.686  Positive charged surface: 157.301  Negative charged surface: 309.386  Volume: 224.125
  Hydrophobic surface: 251.967  Hydrophilic surface: 214.719
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.