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IBS-ZINC01819055

 MMsINC code: MMs01777122
Type: Neutral
Formula: C14H33O8P3
SMILES:   P(OC(C)C)(OC(C)C)(=O)C(P(OC(C)C)(OC(C)C)=O)C[PH](O)=O
InChI:   InChI=1/C14H33O8P3/c1-10(2)19-24(17,20-11(3)4)14(9-23(15)16)25(18,21-12(5)6)22-13(7)8/h10-14,23H,9H2,1-8H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=-18.0973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.332 g/mol  logS: -2.16306  SlogP: 1.6551  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121832  Sterimol/B1: 2.1979  Sterimol/B2: 3.18183  Sterimol/B3: 5.45051
  Sterimol/B4: 9.15713  Sterimol/L: 14.8403 
 
 Surface and Volume Properties
  Accessible surface: 633.152  Positive charged surface: 401.166  Negative charged surface: 231.985  Volume: 380.375
  Hydrophobic surface: 367.489  Hydrophilic surface: 265.663
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.