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PUBCHEM-ZINC03098102

 MMsINC code: MMs02993262
Type: Neutral
Formula: C10H9O2P
SMILES:   [PH](O)(=O)c1c2c(ccc1)cccc2
InChI:   InChI=1/C10H9O2P/c11-13(12)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,13H,(H,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.7635 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.154 g/mol  logS: -3.32471  SlogP: 0.8619  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0280171  Sterimol/B1: 2.31971  Sterimol/B2: 2.84885  Sterimol/B3: 3.48083
  Sterimol/B4: 6.05397  Sterimol/L: 11.2243 
 
 Surface and Volume Properties
  Accessible surface: 371.64  Positive charged surface: 159.768  Negative charged surface: 200.8  Volume: 174.75
  Hydrophobic surface: 288.509  Hydrophilic surface: 83.131
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.