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PUBCHEM-ZINC00247508

 MMsINC code: MMs02645301
Type: Neutral
Formula: C7H6Cl3NO3
SMILES:   ClC(Cl)(Cl)C(O)NC(=O)c1occc1
InChI:   InChI=1/C7H6Cl3NO3/c8-7(9,10)6(13)11-5(12)4-2-1-3-14-4/h1-3,6,13H,(H,11,12)/t6-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.7592 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.488 g/mol  logS: -3.36853  SlogP: 2.1179  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0805361  Sterimol/B1: 3.39026  Sterimol/B2: 3.68439  Sterimol/B3: 4.15602
  Sterimol/B4: 4.30878  Sterimol/L: 13.1692 
 
 Surface and Volume Properties
  Accessible surface: 410.547  Positive charged surface: 117.46  Negative charged surface: 293.087  Volume: 190
  Hydrophobic surface: 158.478  Hydrophilic surface: 252.069
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.