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NCID-ZINC01673632

 MMsINC code: MMs02309478
Type: Ionized
Formula: C8H18O4P-
SMILES:   P(OCC(C)C)(OCC(C)C)(=O)[O-]
InChI:   InChI=1/C8H19O4P/c1-7(2)5-11-13(9,10)12-6-8(3)4/h7-8H,5-6H2,1-4H3,(H,9,10)/p-1

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Potential Energy
Epot(MMFF94)=-18.1542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.202 g/mol  logS: -1.05378  SlogP: 0.7298  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0714533  Sterimol/B1: 2.85693  Sterimol/B2: 3.61108  Sterimol/B3: 3.65354
  Sterimol/B4: 3.9147  Sterimol/L: 14.3807 
 
 Surface and Volume Properties
  Accessible surface: 454.887  Positive charged surface: 306.832  Negative charged surface: 148.055  Volume: 203.25
  Hydrophobic surface: 302.521  Hydrophilic surface: 152.366
 
 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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Parent related molecule:


MMs02309477
NCID-ZINC01673632