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PUBCHEM-ZINC03157497

 MMsINC code: MMs03002748
Type: Neutral
Formula: C14H15O4P
SMILES:   P(O)(=O)(C(O)c1ccccc1)C(O)c1ccccc1
InChI:   InChI=1/C14H15O4P/c15-13(11-7-3-1-4-8-11)19(17,18)14(16)12-9-5-2-6-10-12/h1-10,13-16H,(H,17,18)/t13-,14-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.678 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.244 g/mol  logS: -1.90382  SlogP: 1.7598  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107938  Sterimol/B1: 2.10484  Sterimol/B2: 3.61621  Sterimol/B3: 3.81458
  Sterimol/B4: 5.1037  Sterimol/L: 14.684 
 
 Surface and Volume Properties
  Accessible surface: 483.622  Positive charged surface: 246.445  Negative charged surface: 237.177  Volume: 253.875
  Hydrophobic surface: 366.476  Hydrophilic surface: 117.146
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03002749
PUBCHEM-ZINC03157497