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NCID-ZINC01856286

 MMsINC code: MMs02372049
Type: Neutral
Formula: C6H14NO6P
SMILES:   P(O)(O)(=O)CCOCCC(N)C(O)=O
InChI:   InChI=1/C6H14NO6P/c7-5(6(8)9)1-2-13-3-4-14(10,11)12/h5H,1-4,7H2,(H,8,9)(H2,10,11,12)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=-28.4562 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.153 g/mol  logS: 1.04737  SlogP: -2.0875  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0485285  Sterimol/B1: 2.6925  Sterimol/B2: 2.98889  Sterimol/B3: 3.81829
  Sterimol/B4: 4.08156  Sterimol/L: 14.787 
 
 Surface and Volume Properties
  Accessible surface: 438.848  Positive charged surface: 288.821  Negative charged surface: 150.027  Volume: 187.625
  Hydrophobic surface: 151.061  Hydrophilic surface: 287.787
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  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.