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IBS-ZINC02140009

 MMsINC code: MMs01794729
Type: Neutral
Formula: C7H16NO5P
SMILES:   P(O)(O)(=O)CCCCC(N)(C(O)=O)C
InChI:   InChI=1/C7H16NO5P/c1-7(8,6(9)10)4-2-3-5-14(11,12)13/h2-5,8H2,1H3,(H,9,10)(H2,11,12,13)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=-16.2027 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.181 g/mol  logS: 0.45926  SlogP: -0.9338  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0941186  Sterimol/B1: 2.07482  Sterimol/B2: 3.34899  Sterimol/B3: 3.86612
  Sterimol/B4: 4.93949  Sterimol/L: 14.2396 
 
 Surface and Volume Properties
  Accessible surface: 427.575  Positive charged surface: 267.174  Negative charged surface: 160.401  Volume: 195.875
  Hydrophobic surface: 145.869  Hydrophilic surface: 281.706
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.