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PUBCHEM-ZINC06115979

 MMsINC code: MMs03544861
Type: Ionized
Formula: C8H9O5P-2
SMILES:   P(OCCOc1ccccc1)(=O)([O-])[O-]
InChI:   InChI=1/C8H11O5P/c9-14(10,11)13-7-6-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,9,10,11)/p-2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.2278 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.129 g/mol  logS: -1.16334  SlogP: -1.1595  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0538767  Sterimol/B1: 3.10497  Sterimol/B2: 3.47654  Sterimol/B3: 3.76909
  Sterimol/B4: 4.26906  Sterimol/L: 13.583 
 
 Surface and Volume Properties
  Accessible surface: 405.821  Positive charged surface: 188.434  Negative charged surface: 217.387  Volume: 177.875
  Hydrophobic surface: 265.395  Hydrophilic surface: 140.426
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 3  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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Parent related molecule:


MMs03544860
PUBCHEM-ZINC06115979