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ACROSORGANICS-ZINC04262478

 MMsINC code: MMs00017564
Type: Ionized
Formula: C10H24NO5P
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/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=1.95374 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.278 g/mol  logS: -0.03141  SlogP: -0.451  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130701  Sterimol/B1: 2.30675  Sterimol/B2: 3.93242  Sterimol/B3: 5.23883
  Sterimol/B4: 5.52797  Sterimol/L: 14.6501 
 
 Surface and Volume Properties
  Accessible surface: 514.652  Positive charged surface: 428.595  Negative charged surface: 86.0574  Volume: 263.75
  Hydrophobic surface: 374.353  Hydrophilic surface: 140.299
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 2  Basic groups: 1
  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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Parent related molecule:


MMs00017563
ACROSORGANICS-ZINC04262478