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PUBCHEM-ZINC06358054

 MMsINC code: MMs03684412
Type: Ionized
Formula: C7H15NO4P-
SMILES:   P(=O)([O-])(C([NH3+])CC(C)C)CC(=O)[O-]
InChI:   InChI=1/C7H16NO4P/c1-5(2)3-6(8)13(11,12)4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)(H,11,12)/p-1/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=-8.54087 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.174 g/mol  logS: -0.44657  SlogP: -3.0814  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.204659  Sterimol/B1: 3.05697  Sterimol/B2: 3.945  Sterimol/B3: 4.21679
  Sterimol/B4: 4.97414  Sterimol/L: 11.674 
 
 Surface and Volume Properties
  Accessible surface: 394.856  Positive charged surface: 230.836  Negative charged surface: 164.02  Volume: 186.375
  Hydrophobic surface: 153.73  Hydrophilic surface: 241.126
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  Basic groups: 1
  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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Parent related molecule:


MMs03684411
PUBCHEM-ZINC06358054