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PUBCHEM-ZINC06145247

 MMsINC code: MMs03562476
Type: Neutral
Formula: C11H20NO7P
SMILES:   P(O)(=O)(C(CC(OC)=O)C(OC)=O)CN1CCOCC1
InChI:   InChI=1/C11H20NO7P/c1-17-10(13)7-9(11(14)18-2)20(15,16)8-12-3-5-19-6-4-12/h9H,3-8H2,1-2H3,(H,15,16)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=54.2693 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.255 g/mol  logS: 0.39523  SlogP: -1.419  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0609302  Sterimol/B1: 2.97628  Sterimol/B2: 3.01187  Sterimol/B3: 3.7955
  Sterimol/B4: 6.62629  Sterimol/L: 15.8577 
 
 Surface and Volume Properties
  Accessible surface: 530.866  Positive charged surface: 428.766  Negative charged surface: 102.099  Volume: 270.25
  Hydrophobic surface: 411.173  Hydrophilic surface: 119.693
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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


MMs03562477
PUBCHEM-ZINC06145247