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PUBCHEM-ZINC06615315

 MMsINC code: MMs03820522
Type: Neutral
Formula: C10H20NO8P
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)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=12.8955 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.243 g/mol  logS: -1.0928  SlogP: 0.3116  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0934813  Sterimol/B1: 2.26987  Sterimol/B2: 4.25642  Sterimol/B3: 5.11001
  Sterimol/B4: 6.0728  Sterimol/L: 15.122 
 
 Surface and Volume Properties
  Accessible surface: 556.038  Positive charged surface: 391.305  Negative charged surface: 164.734  Volume: 272
  Hydrophobic surface: 331.753  Hydrophilic surface: 224.285
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 7  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


MMs03820523
PUBCHEM-ZINC06615315