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PUBCHEM-ZINC02516827

 MMsINC code: MMs02891518
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-/m0/s1

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Potential Energy
Epot(MMFF94)=12.1389 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: 0.0733184  Sterimol/B1: 2.44211  Sterimol/B2: 4.29472  Sterimol/B3: 4.82552
  Sterimol/B4: 5.26259  Sterimol/L: 15.1498 
 
 Surface and Volume Properties
  Accessible surface: 549.661  Positive charged surface: 389.219  Negative charged surface: 160.442  Volume: 269.25
  Hydrophobic surface: 327.65  Hydrophilic surface: 222.011
 
 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


MMs02891519
PUBCHEM-ZINC02516827