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ASINEX-ZINC00374197

 MMsINC code: MMs00125994
Type: Neutral
Formula: C8H8Cl3NO3
SMILES:   ClC(Cl)(Cl)C(OC)NC(=O)c1occc1
InChI:   InChI=1/C8H8Cl3NO3/c1-14-7(8(9,10)11)12-6(13)5-3-2-4-15-5/h2-4,7H,1H3,(H,12,13)/t7-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.2503 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.515 g/mol  logS: -3.71371  SlogP: 2.772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101358  Sterimol/B1: 2.05581  Sterimol/B2: 2.70233  Sterimol/B3: 4.25932
  Sterimol/B4: 6.64665  Sterimol/L: 13.0329 
 
 Surface and Volume Properties
  Accessible surface: 436.416  Positive charged surface: 163.116  Negative charged surface: 273.3  Volume: 209.875
  Hydrophobic surface: 229.545  Hydrophilic surface: 206.871
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.