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PUBCHEM-ZINC05410761

 MMsINC code: MMs03260307
Type: Ionized
Formula: C3H6NO6P-2
SMILES:   P(OCCN(O)C=O)(=O)([O-])[O-]
InChI:   InChI=1/C3H8NO6P/c5-3-4(6)1-2-10-11(7,8)9/h3,6H,1-2H2,(H2,7,8,9)/p-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-18.9428 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.056 g/mol  logS: 0.80914  SlogP: -3.3909  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.217463  Sterimol/B1: 2.54053  Sterimol/B2: 2.91831  Sterimol/B3: 4.21212
  Sterimol/B4: 4.32993  Sterimol/L: 10.1017 
 
 Surface and Volume Properties
  Accessible surface: 312.712  Positive charged surface: 139.887  Negative charged surface: 172.825  Volume: 126
  Hydrophobic surface: 97.7114  Hydrophilic surface: 215.0006
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 3  Basic groups: 0
  Chiral centers: 0
 
 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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MMs03260306
PUBCHEM-ZINC05410761