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ACROSORGANICS-ZINC04262479

 MMsINC code: MMs00017565
Type: Neutral
Formula: C10H25NO5P+
SMILES:   P(OCC(OC)CC)(OCC[N+](C)(C)C)(O)=O
InChI:   InChI=1/C10H24NO5P/c1-6-10(14-5)9-16-17(12,13)15-8-7-11(2,3)4/h10H,6-9H2,1-5H3/p+1/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=23.6995 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.286 g/mol  logS: 0.04011  SlogP: 0.181  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0924386  Sterimol/B1: 2.47328  Sterimol/B2: 3.32076  Sterimol/B3: 4.44298
  Sterimol/B4: 7.23648  Sterimol/L: 14.2676 
 
 Surface and Volume Properties
  Accessible surface: 517.54  Positive charged surface: 437.161  Negative charged surface: 80.3785  Volume: 260.25
  Hydrophobic surface: 365.037  Hydrophilic surface: 152.503
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 1
  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


MMs00017566
ACROSORGANICS-ZINC04262479