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ASINEX-ZINC04595342

 MMsINC code: MMs00354412
Type: Neutral
Formula: C4H13NO5P2
SMILES:   P(O)(=O)(N(P(O)(=O)C)CCO)C
InChI:   InChI=1/C4H13NO5P2/c1-11(7,8)5(3-4-6)12(2,9)10/h6H,3-4H2,1-2H3,(H,7,8)(H,9,10)

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Potential Energy
Epot(MMFF94)=-50.0513 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.098 g/mol  logS: 2.06658  SlogP: -2.2293  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.352656  Sterimol/B1: 2.55257  Sterimol/B2: 3.20479  Sterimol/B3: 4.17244
  Sterimol/B4: 5.86949  Sterimol/L: 9.89592 
 
 Surface and Volume Properties
  Accessible surface: 365.321  Positive charged surface: 230.471  Negative charged surface: 134.85  Volume: 169.75
  Hydrophobic surface: 146.182  Hydrophilic surface: 219.139
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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.