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IBS-ZINC02149823

 MMsINC code: MMs01795690
Type: Neutral
Formula: C8H18NO5P
SMILES:   P(O)(O)(=O)CCCCCCC(N)C(O)=O
InChI:   InChI=1/C8H18NO5P/c9-7(8(10)11)5-3-1-2-4-6-15(12,13)14/h7H,1-6,9H2,(H,10,11)(H2,12,13,14)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=-27.8545 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.208 g/mol  logS: 0.06948  SlogP: -0.5437  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0430834  Sterimol/B1: 3.18765  Sterimol/B2: 3.25851  Sterimol/B3: 3.41331
  Sterimol/B4: 3.89552  Sterimol/L: 16.0493 
 
 Surface and Volume Properties
  Accessible surface: 474.823  Positive charged surface: 317.486  Negative charged surface: 157.337  Volume: 214.125
  Hydrophobic surface: 191.2  Hydrophilic surface: 283.623
 
 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.