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PUBCHEM-ZINC05829813

 MMsINC code: MMs03404785
Type: Ionized
Formula: C4H10NO8P-2
SMILES:   P(OCC(O)C(O)C(O)NO)(=O)([O-])[O-]
InChI:   InChI=1/C4H12NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-9H,1H2,(H2,10,11,12)/p-2/t2-,3+,4+/m0/s1

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Potential Energy
Epot(MMFF94)=-9.34748 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.097 g/mol  logS: 1.91352  SlogP: -5.2195  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103627  Sterimol/B1: 2.52251  Sterimol/B2: 3.08133  Sterimol/B3: 3.7526
  Sterimol/B4: 4.21539  Sterimol/L: 13.0486 
 
 Surface and Volume Properties
  Accessible surface: 373.127  Positive charged surface: 178.818  Negative charged surface: 194.309  Volume: 161.75
  Hydrophobic surface: 76.8573  Hydrophilic surface: 296.2697
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 3  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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MMs03404784
PUBCHEM-ZINC05829813