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ACROSORGANICS-ZINC01529512

 MMsINC code: MMs00008869
Type: Neutral
Formula: C6H7O4P
SMILES:   P(Oc1ccccc1)(O)(O)=O
InChI:   InChI=1/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-38.8861 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.092 g/mol  logS: -0.87766  SlogP: 0.0879  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0543892  Sterimol/B1: 2.65658  Sterimol/B2: 3.07455  Sterimol/B3: 3.59857
  Sterimol/B4: 3.81654  Sterimol/L: 10.9724 
 
 Surface and Volume Properties
  Accessible surface: 334.085  Positive charged surface: 161.758  Negative charged surface: 172.327  Volume: 140.75
  Hydrophobic surface: 187.505  Hydrophilic surface: 146.58
 
 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.