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PUBCHEM-ZINC06760881

 MMsINC code: MMs03854136
Type: Ionized
Formula: C6H13NO8P-
SMILES:   P(OC1C(O)C(O)C([NH3+])C(O)C1O)(=O)([O-])[O-]
InChI:   InChI=1/C6H14NO8P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-6,8-11H,7H2,(H2,12,13,14)/p-1/t1-,2-,3+,4-,5-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=-10.1915 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.143 g/mol  logS: 1.67573  SlogP: -6.8022  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138259  Sterimol/B1: 2.8091  Sterimol/B2: 3.60258  Sterimol/B3: 4.11081
  Sterimol/B4: 4.27927  Sterimol/L: 11.6194 
 
 Surface and Volume Properties
  Accessible surface: 388.274  Positive charged surface: 219.199  Negative charged surface: 169.075  Volume: 186.125
  Hydrophobic surface: 82.2261  Hydrophilic surface: 306.0479
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 3  Basic groups: 1
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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MMs03854135
PUBCHEM-ZINC06760881