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CHEMBRIDGE-ZINC01839760

 MMsINC code: MMs00699057
Type: Neutral
Formula: C14H15O4P
SMILES:   P(Oc1cc(ccc1)C)(Oc1cc(ccc1)C)(O)=O
InChI:   InChI=1/C14H15O4P/c1-11-5-3-7-13(9-11)17-19(15,16)18-14-8-4-6-12(2)10-14/h3-10H,1-2H3,(H,15,16)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.3731 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.244 g/mol  logS: -3.87276  SlogP: 2.79144  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0383748  Sterimol/B1: 2.50631  Sterimol/B2: 3.01881  Sterimol/B3: 3.87739
  Sterimol/B4: 6.03805  Sterimol/L: 15.0612 
 
 Surface and Volume Properties
  Accessible surface: 507.511  Positive charged surface: 277.809  Negative charged surface: 229.702  Volume: 257
  Hydrophobic surface: 429.47  Hydrophilic surface: 78.041
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.