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ACROSORGANICS-ZINC01655964

 MMsINC code: MMs00010310
Type: Neutral
Formula: C14H15O4P
SMILES:   P(OCc1ccccc1)(OCc1ccccc1)(O)=O
InChI:   InChI=1/C14H15O4P/c15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,16)

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Potential Energy
Epot(MMFF94)=-5.86429 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.244 g/mol  logS: -3.05656  SlogP: 2.983  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103052  Sterimol/B1: 2.26314  Sterimol/B2: 3.45872  Sterimol/B3: 4.1547
  Sterimol/B4: 6.5119  Sterimol/L: 15.3035 
 
 Surface and Volume Properties
  Accessible surface: 539.439  Positive charged surface: 291.138  Negative charged surface: 248.301  Volume: 256.5
  Hydrophobic surface: 433.637  Hydrophilic surface: 105.802
 
 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


MMs00010311
ACROSORGANICS-ZINC01655964