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ACROSORGANICS-ZINC01555311

 MMsINC code: MMs00009134
Type: Neutral
Formula: C6H7O3P
SMILES:   P(O)(O)(=O)c1ccccc1
InChI:   InChI=1/C6H7O3P/c7-10(8,9)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)=-26.9491 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.093 g/mol  logS: -0.74488  SlogP: -0.5806  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0590244  Sterimol/B1: 2.54482  Sterimol/B2: 3.53903  Sterimol/B3: 3.6117
  Sterimol/B4: 3.69476  Sterimol/L: 10.0113 
 
 Surface and Volume Properties
  Accessible surface: 320.781  Positive charged surface: 149.322  Negative charged surface: 171.46  Volume: 133
  Hydrophobic surface: 186.882  Hydrophilic surface: 133.899
 
 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.