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PUBCHEM-ZINC05651932

 MMsINC code: MMs03337951
Type: Ionized
Formula: C9H16NO7P-2
SMILES:   P(OCC)(OCC)(=O)CN(CC(=O)[O-])CC(=O)[O-]
InChI:   InChI=1/C9H18NO7P/c1-3-16-18(15,17-4-2)7-10(5-8(11)12)6-9(13)14/h3-7H2,1-2H3,(H,11,12)(H,13,14)/p-2

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Potential Energy
Epot(MMFF94)=93.1044 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.201 g/mol  logS: -0.38177  SlogP: -3.0584  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.234433  Sterimol/B1: 2.26058  Sterimol/B2: 4.05228  Sterimol/B3: 4.57898
  Sterimol/B4: 7.58075  Sterimol/L: 13.4332 
 
 Surface and Volume Properties
  Accessible surface: 486.733  Positive charged surface: 285.43  Negative charged surface: 201.303  Volume: 238.75
  Hydrophobic surface: 249.87  Hydrophilic surface: 236.863
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 4  Basic groups: 0
  Chiral centers: 0
 
 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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Parent related molecule:


MMs03337950
PUBCHEM-ZINC05651932