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PUBCHEM-ZINC06021260

 MMsINC code: MMs03496469
Type: Neutral
Formula: C7H14NO6P
SMILES:   P(O)(=O)(CCC(N)C(O)=O)CCC(O)=O
InChI:   InChI=1/C7H14NO6P/c8-5(7(11)12)1-3-15(13,14)4-2-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)(H,13,14)/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=8.60558 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.164 g/mol  logS: 1.22163  SlogP: -1.5367  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0672826  Sterimol/B1: 3.19686  Sterimol/B2: 3.35684  Sterimol/B3: 3.61602
  Sterimol/B4: 4.06413  Sterimol/L: 14.9137 
 
 Surface and Volume Properties
  Accessible surface: 440.315  Positive charged surface: 274.697  Negative charged surface: 165.618  Volume: 198.625
  Hydrophobic surface: 128.153  Hydrophilic surface: 312.162
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 7  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


MMs03496470
PUBCHEM-ZINC06021260