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IBS-ZINC04425726

 MMsINC code: MMs01886004
Type: Neutral
Formula: C8H12O4P2
SMILES:   [PH](O)(=O)C(C[PH](O)=O)c1ccccc1
InChI:   InChI=1/C8H12O4P2/c9-13(10)6-8(14(11)12)7-4-2-1-3-5-7/h1-5,8,13-14H,6H2,(H,9,10)(H,11,12)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=4.04587 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.128 g/mol  logS: -1.4233  SlogP: -0.3832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183815  Sterimol/B1: 3.06231  Sterimol/B2: 3.70203  Sterimol/B3: 3.85428
  Sterimol/B4: 5.72024  Sterimol/L: 12.4066 
 
 Surface and Volume Properties
  Accessible surface: 408.297  Positive charged surface: 196.599  Negative charged surface: 211.698  Volume: 195.375
  Hydrophobic surface: 231.577  Hydrophilic surface: 176.72
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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: no related molecules available.