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DSC-ZINC01558670

 MMsINC code: MMs01221665
Type: Ionized
Formula: C8H18O4P-
SMILES:   P(OC(C)(C)C)(OC(C)(C)C)(=O)[O-]
InChI:   InChI=1/C8H19O4P/c1-7(2,3)11-13(9,10)12-8(4,5)6/h1-6H3,(H,9,10)/p-1

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Potential Energy
Epot(MMFF94)=0.883626 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.202 g/mol  logS: -1.55554  SlogP: 1.0148  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163992  Sterimol/B1: 2.3277  Sterimol/B2: 2.78468  Sterimol/B3: 4.19632
  Sterimol/B4: 4.90241  Sterimol/L: 11.8892 
 
 Surface and Volume Properties
  Accessible surface: 420.914  Positive charged surface: 278.584  Negative charged surface: 142.331  Volume: 201.375
  Hydrophobic surface: 276.889  Hydrophilic surface: 144.025
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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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MMs01221664
DSC-ZINC01558670