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PUBCHEM-ZINC02516827

 MMsINC code: MMs02891519
Type: Ionized
Formula: C10H19NO8P-
SMILES:   P(OCC(NC(OC(C)(C)C)=O)C(=O)[O-])(OC)(OC)=O
InChI:   InChI=1/C10H20NO8P/c1-10(2,3)19-9(14)11-7(8(12)13)6-18-20(15,16-4)17-5/h7H,6H2,1-5H3,(H,11,14)(H,12,13)/p-1/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=-7.43254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.235 g/mol  logS: -1.35325  SlogP: -1.0231  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.094554  Sterimol/B1: 3.37329  Sterimol/B2: 4.20203  Sterimol/B3: 4.68878
  Sterimol/B4: 5.46758  Sterimol/L: 14.1617 
 
 Surface and Volume Properties
  Accessible surface: 536.332  Positive charged surface: 364.544  Negative charged surface: 171.788  Volume: 270.375
  Hydrophobic surface: 328.279  Hydrophilic surface: 208.053
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 2  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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Parent related molecule:


MMs02891518
PUBCHEM-ZINC02516827