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PUBCHEM-ZINC05975952

 MMsINC code: MMs03471424
Type: Ionized
Formula: C5H11NO5P-
SMILES:   P(OCC1C[NH2+]CC1O)(=O)([O-])[O-]
InChI:   InChI=1/C5H12NO5P/c7-5-2-6-1-4(5)3-11-12(8,9)10/h4-7H,1-3H2,(H2,8,9,10)/p-1/t4-,5+/m0/s1

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Potential Energy
Epot(MMFF94)=-14.1881 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.119 g/mol  logS: 0.9162  SlogP: -4.6844  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141365  Sterimol/B1: 2.49917  Sterimol/B2: 2.94576  Sterimol/B3: 2.95361
  Sterimol/B4: 5.12583  Sterimol/L: 10.8143 
 
 Surface and Volume Properties
  Accessible surface: 347.364  Positive charged surface: 214.724  Negative charged surface: 132.64  Volume: 154.75
  Hydrophobic surface: 122.393  Hydrophilic surface: 224.971
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 3  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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Parent related molecule:


MMs03471423
PUBCHEM-ZINC05975952