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PUBCHEM-ZINC03157498

 MMsINC code: MMs03002751
Type: Ionized
Formula: C14H14O4P-
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)/p-1/t13-,14+

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Potential Energy
Epot(MMFF94)=74.716 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.236 g/mol  logS: -1.97534  SlogP: 1.1278  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133409  Sterimol/B1: 2.1184  Sterimol/B2: 3.63357  Sterimol/B3: 3.76419
  Sterimol/B4: 5.54414  Sterimol/L: 14.8794 
 
 Surface and Volume Properties
  Accessible surface: 480.967  Positive charged surface: 232.296  Negative charged surface: 248.671  Volume: 249.75
  Hydrophobic surface: 374.116  Hydrophilic surface: 106.851
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs03002750
PUBCHEM-ZINC03157498