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CHEMBLOCK-ZINC03115749

 MMsINC code: MMs00536753
Type: Neutral
Formula: C5H12NO5P
SMILES:   P(O)(O)(=O)CCN(CC(O)=O)C
InChI:   InChI=1/C5H12NO5P/c1-6(4-5(7)8)2-3-12(9,10)11/h2-4H2,1H3,(H,7,8)(H2,9,10,11)

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Potential Energy
Epot(MMFF94)=-16.9683 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.127 g/mol  logS: 1.18525  SlogP: -1.8897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0916681  Sterimol/B1: 2.05146  Sterimol/B2: 3.09298  Sterimol/B3: 3.29198
  Sterimol/B4: 5.25823  Sterimol/L: 13.0535 
 
 Surface and Volume Properties
  Accessible surface: 376.57  Positive charged surface: 248.861  Negative charged surface: 127.71  Volume: 161.875
  Hydrophobic surface: 145.055  Hydrophilic surface: 231.515
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.