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PUBCHEM-ZINC05922916

 MMsINC code: MMs03444799
Type: Neutral
Formula: C7H16NO5P
SMILES:   P(O)(O)(=O)C(CCC(N)C(O)=O)CC
InChI:   InChI=1/C7H16NO5P/c1-2-5(14(11,12)13)3-4-6(8)7(9)10/h5-6H,2-4,8H2,1H3,(H,9,10)(H2,11,12,13)/t5-,6-/m0/s1

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Potential Energy
Epot(MMFF94)=-6.84927 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.181 g/mol  logS: 0.45926  SlogP: -0.9354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0885168  Sterimol/B1: 2.57433  Sterimol/B2: 3.12826  Sterimol/B3: 3.85608
  Sterimol/B4: 4.8452  Sterimol/L: 12.1308 
 
 Surface and Volume Properties
  Accessible surface: 414.765  Positive charged surface: 276.587  Negative charged surface: 138.178  Volume: 192.875
  Hydrophobic surface: 141.958  Hydrophilic surface: 272.807
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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.