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PUBCHEM-ZINC00537862

 MMsINC code: MMs02700649
Type: Neutral
Formula: C8H8Cl2IO3PS
SMILES:   Ic1cc(Cl)c(OP(=S)(OC)OC)cc1Cl
InChI:   InChI=1/C8H8Cl2IO3PS/c1-12-15(16,13-2)14-8-4-5(9)7(11)3-6(8)10/h3-4H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.5186 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.999 g/mol  logS: -5.2814  SlogP: 4.4941  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118532  Sterimol/B1: 2.45561  Sterimol/B2: 2.57181  Sterimol/B3: 5.1458
  Sterimol/B4: 6.29872  Sterimol/L: 13.9975 
 
 Surface and Volume Properties
  Accessible surface: 478.707  Positive charged surface: 192.049  Negative charged surface: 286.658  Volume: 250.5
  Hydrophobic surface: 416.81  Hydrophilic surface: 61.897
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.