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AURORAFEINCHEMIE-ZINC02568897

 MMsINC code: MMs00454914
Type: Neutral
Formula: C7H9O2P
SMILES:   [PH](O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C7H9O2P/c1-6-2-4-7(5-3-6)10(8)9/h2-5,10H,1H3,(H,8,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.5457 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.121 g/mol  logS: -1.92075  SlogP: 0.01712  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0393576  Sterimol/B1: 2.52232  Sterimol/B2: 2.85044  Sterimol/B3: 3.49328
  Sterimol/B4: 3.90163  Sterimol/L: 10.9623 
 
 Surface and Volume Properties
  Accessible surface: 339.546  Positive charged surface: 158.978  Negative charged surface: 180.568  Volume: 144.625
  Hydrophobic surface: 249.46  Hydrophilic surface: 90.086
 
 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.