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PUBCHEM-ZINC03122162

 MMsINC code: MMs02996753
Type: Ionized
Formula: C10H12O6P-
SMILES:   P1(OCCOc2cc(OCCO1)ccc2)(=O)[O-]
InChI:   InChI=1/C10H13O6P/c11-17(12)15-6-4-13-9-2-1-3-10(8-9)14-5-7-16-17/h1-3,8H,4-7H2,(H,11,12)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.1542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.174 g/mol  logS: -1.63622  SlogP: -0.1108  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115671  Sterimol/B1: 2.93355  Sterimol/B2: 3.21339  Sterimol/B3: 4.46767
  Sterimol/B4: 5.55024  Sterimol/L: 11.583 
 
 Surface and Volume Properties
  Accessible surface: 402.47  Positive charged surface: 241.308  Negative charged surface: 161.162  Volume: 213
  Hydrophobic surface: 290.974  Hydrophilic surface: 111.496
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 2  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:


MMs02996752
PUBCHEM-ZINC03122162