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ACROSORGANICS-ZINC04262478

 MMsINC code: MMs00017563
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-/m0/s1

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Potential Energy
Epot(MMFF94)=21.8187 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: 0.11744  Sterimol/B1: 2.57295  Sterimol/B2: 3.41786  Sterimol/B3: 5.46698
  Sterimol/B4: 5.81423  Sterimol/L: 14.1899 
 
 Surface and Volume Properties
  Accessible surface: 527.434  Positive charged surface: 445.79  Negative charged surface: 81.6434  Volume: 261
  Hydrophobic surface: 370.959  Hydrophilic surface: 156.475
 
 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


MMs00017564
ACROSORGANICS-ZINC04262478