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ALFAAESAR-ZINC02168364

 MMsINC code: MMs00022704
Type: Neutral
Formula: C7H9O3P
SMILES:   P(O)(O)(=O)Cc1ccccc1
InChI:   InChI=1/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-15.6099 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.12 g/mol  logS: -0.68892  SlogP: 0.5605  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111754  Sterimol/B1: 2.88053  Sterimol/B2: 3.49703  Sterimol/B3: 3.59412
  Sterimol/B4: 3.81998  Sterimol/L: 11.1406 
 
 Surface and Volume Properties
  Accessible surface: 346.916  Positive charged surface: 182.063  Negative charged surface: 164.853  Volume: 150.625
  Hydrophobic surface: 217.34  Hydrophilic surface: 129.576
 
 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.