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NCID-ZINC01764567

 MMsINC code: MMs02369029
Type: Neutral
Formula: C8H7Cl3O3
SMILES:   Clc1c(CO)c(O)c(CO)c(Cl)c1Cl
InChI:   InChI=1/C8H7Cl3O3/c9-5-3(1-12)8(14)4(2-13)6(10)7(5)11/h12-14H,1-2H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.7743 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.5 g/mol  logS: -2.76784  SlogP: 2.8698  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0696365  Sterimol/B1: 2.4406  Sterimol/B2: 3.05467  Sterimol/B3: 3.07365
  Sterimol/B4: 6.62663  Sterimol/L: 10.415 
 
 Surface and Volume Properties
  Accessible surface: 396.546  Positive charged surface: 184.448  Negative charged surface: 212.098  Volume: 191.5
  Hydrophobic surface: 244.222  Hydrophilic surface: 152.324
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.