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CHEMBLOCK-ZINC04410251

 MMsINC code: MMs00550684
Type: Ionized
Formula: C5H9NO5P-
SMILES:   [PH](O)(=O)CC(NC(=O)C)C(=O)[O-]
InChI:   InChI=1/C5H10NO5P/c1-3(7)6-4(5(8)9)2-12(10)11/h4,12H,2H2,1H3,(H,6,7)(H,8,9)(H,10,11)/p-1/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=-6.44656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.103 g/mol  logS: -0.05919  SlogP: -3.3622  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14907  Sterimol/B1: 2.8142  Sterimol/B2: 3.0663  Sterimol/B3: 3.2298
  Sterimol/B4: 5.9136  Sterimol/L: 9.95394 
 
 Surface and Volume Properties
  Accessible surface: 350.513  Positive charged surface: 169.659  Negative charged surface: 180.854  Volume: 155.75
  Hydrophobic surface: 145.019  Hydrophilic surface: 205.494
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 2  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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Parent related molecule:


MMs00550683
CHEMBLOCK-ZINC04410251