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PUBCHEM-ZINC05830108

 MMsINC code: MMs03404995
Type: Ionized
Formula: C3H8NO6P-2
SMILES:   P(OCC(O)(N)CO)(=O)([O-])[O-]
InChI:   InChI=1/C3H10NO6P/c4-3(6,1-5)2-10-11(7,8)9/h5-6H,1-2,4H2,(H2,7,8,9)/p-2/t3-/m1/s1

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Potential Energy
Epot(MMFF94)=-37.3914 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.072 g/mol  logS: 1.33914  SlogP: -4.5989  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.216613  Sterimol/B1: 3.19956  Sterimol/B2: 3.21782  Sterimol/B3: 3.28281
  Sterimol/B4: 3.51852  Sterimol/L: 10.3384 
 
 Surface and Volume Properties
  Accessible surface: 296.479  Positive charged surface: 137.499  Negative charged surface: 158.98  Volume: 126.25
  Hydrophobic surface: 90.6996  Hydrophilic surface: 205.7794
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 3  Basic groups: 0
  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:


MMs03404994
PUBCHEM-ZINC05830108