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PUBCHEM-ZINC03869323

 MMsINC code: MMs03078454
Type: Ionized
Formula: C5H10NO7P-2
SMILES:   P(OCC1OC(N)C(O)C1O)(=O)([O-])[O-]
InChI:   InChI=1/C5H12NO7P/c6-5-4(8)3(7)2(13-5)1-12-14(9,10)11/h2-5,7-8H,1,6H2,(H2,9,10,11)/p-2/t2-,3+,4+,5-/m1/s1

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Potential Energy
Epot(MMFF94)=-7.13334 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.109 g/mol  logS: 1.22289  SlogP: -4.8331  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151367  Sterimol/B1: 2.57746  Sterimol/B2: 2.89799  Sterimol/B3: 3.2276
  Sterimol/B4: 4.69296  Sterimol/L: 11.6429 
 
 Surface and Volume Properties
  Accessible surface: 358.664  Positive charged surface: 193.98  Negative charged surface: 164.684  Volume: 159.125
  Hydrophobic surface: 111.9  Hydrophilic surface: 246.764
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 3  Basic groups: 0
  Chiral centers: 4
 
 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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MMs03078453
PUBCHEM-ZINC03869323