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PUBCHEM-ZINC04654833

 MMsINC code: MMs03147398
Type: Neutral
Formula: C8H14NO8P
SMILES:   P(OC(=O)CCCC(NC(=O)C)C(O)=O)(O)(O)=O
InChI:   InChI=1/C8H14NO8P/c1-5(10)9-6(8(12)13)3-2-4-7(11)17-18(14,15)16/h6H,2-4H2,1H3,(H,9,10)(H,12,13)(H2,14,15,16)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=-53.6187 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.173 g/mol  logS: 0.09766  SlogP: -1.6883  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0501478  Sterimol/B1: 2.18998  Sterimol/B2: 2.84238  Sterimol/B3: 3.67528
  Sterimol/B4: 7.62309  Sterimol/L: 14.7052 
 
 Surface and Volume Properties
  Accessible surface: 496.913  Positive charged surface: 283.32  Negative charged surface: 213.593  Volume: 224.375
  Hydrophobic surface: 182.747  Hydrophilic surface: 314.166
 
 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


MMs03147399
PUBCHEM-ZINC04654833