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PUBCHEM-ZINC06292542

 MMsINC code: MMs03659980
Type: Ionized
Formula: C3H9NO5P-
SMILES:   P(OCC([NH3+])CO)(=O)([O-])[O-]
InChI:   InChI=1/C3H10NO5P/c4-3(1-5)2-9-10(6,7)8/h3,5H,1-2,4H2,(H2,6,7,8)/p-1/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=-71.6395 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.081 g/mol  logS: 1.21695  SlogP: -4.6357  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164488  Sterimol/B1: 2.774  Sterimol/B2: 3.10928  Sterimol/B3: 3.39412
  Sterimol/B4: 3.62056  Sterimol/L: 10.3811 
 
 Surface and Volume Properties
  Accessible surface: 311.3  Positive charged surface: 182.569  Negative charged surface: 128.73  Volume: 124.875
  Hydrophobic surface: 101.681  Hydrophilic surface: 209.619
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 3  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:


MMs03659979
PUBCHEM-ZINC06292542