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PUBCHEM-ZINC06929687

 MMsINC code: MMs03905071
Type: Neutral
Formula: C11H22NO8P
SMILES:   P(OC(C(NC(OC(C)(C)C)=O)C(O)=O)C)(OC)(OC)=O
InChI:   InChI=1/C11H22NO8P/c1-7(20-21(16,17-5)18-6)8(9(13)14)12-10(15)19-11(2,3)4/h7-8H,1-6H3,(H,12,15)(H,13,14)/t7-,8+/m0/s1

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Potential Energy
Epot(MMFF94)=15.8166 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.27 g/mol  logS: -1.42001  SlogP: 0.7001  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123285  Sterimol/B1: 2.03295  Sterimol/B2: 4.14543  Sterimol/B3: 4.45503
  Sterimol/B4: 6.63818  Sterimol/L: 15.0799 
 
 Surface and Volume Properties
  Accessible surface: 557.802  Positive charged surface: 394.504  Negative charged surface: 163.298  Volume: 287.5
  Hydrophobic surface: 343.429  Hydrophilic surface: 214.373
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03905072
PUBCHEM-ZINC06929687