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NCID-ZINC01761894

 MMsINC code: MMs02367823
Type: Neutral
Formula: C9H8Cl3NO2
SMILES:   ClC(Cl)(Cl)COC(=O)Nc1ccccc1
InChI:   InChI=1/C9H8Cl3NO2/c10-9(11,12)6-15-8(14)13-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.0154 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.527 g/mol  logS: -4.07155  SlogP: 4.0252  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0324477  Sterimol/B1: 2.75799  Sterimol/B2: 3.44852  Sterimol/B3: 4.00904
  Sterimol/B4: 4.32755  Sterimol/L: 14.485 
 
 Surface and Volume Properties
  Accessible surface: 450.802  Positive charged surface: 167.128  Negative charged surface: 283.673  Volume: 211.125
  Hydrophobic surface: 216.434  Hydrophilic surface: 234.368
 
 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.