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PHARMEK-ZINC01864320

 MMsINC code: MMs02623388
Type: Neutral
Formula: C6H6ClO4P
SMILES:   Clc1ccc(OP(O)(O)=O)cc1
InChI:   InChI=1/C6H6ClO4P/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H,(H2,8,9,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-39.0538 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.537 g/mol  logS: -1.61195  SlogP: 0.7413  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0543149  Sterimol/B1: 2.3462  Sterimol/B2: 2.55582  Sterimol/B3: 3.39598
  Sterimol/B4: 4.85262  Sterimol/L: 12.1642 
 
 Surface and Volume Properties
  Accessible surface: 358.104  Positive charged surface: 143.221  Negative charged surface: 214.882  Volume: 154.75
  Hydrophobic surface: 210.838  Hydrophilic surface: 147.266
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.