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CHEMSTAR-ZINC02807256

 MMsINC code: MMs01082449
Type: Neutral
Formula: C6H7O4P
SMILES:   P(O)(O)(=O)c1ccccc1O
InChI:   InChI=1/C6H7O4P/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4,7H,(H2,8,9,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-22.8609 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.092 g/mol  logS: -0.38293  SlogP: -0.875  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0701903  Sterimol/B1: 2.38019  Sterimol/B2: 3.62047  Sterimol/B3: 3.68332
  Sterimol/B4: 4.13435  Sterimol/L: 10.0031 
 
 Surface and Volume Properties
  Accessible surface: 330.416  Positive charged surface: 161.782  Negative charged surface: 168.634  Volume: 139.125
  Hydrophobic surface: 164.911  Hydrophilic surface: 165.505
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.