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PUBCHEM-ZINC01529733

 MMsINC code: MMs02813027
Type: Neutral
Formula: C5H13N2O6P
SMILES:   P(OCC(N)C(O)=O)(OCCN)(O)=O
InChI:   InChI=1/C5H13N2O6P/c6-1-2-12-14(10,11)13-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)(H,10,11)/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=-13.3755 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.141 g/mol  logS: 1.10068  SlogP: -2.5796  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0546568  Sterimol/B1: 2.55417  Sterimol/B2: 3.86965  Sterimol/B3: 4.25931
  Sterimol/B4: 4.33346  Sterimol/L: 14.0004 
 
 Surface and Volume Properties
  Accessible surface: 439.177  Positive charged surface: 305.03  Negative charged surface: 134.147  Volume: 183.625
  Hydrophobic surface: 132.546  Hydrophilic surface: 306.631
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  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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Ions/Tautomers related molecules: no related molecules available.