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CHEMBLOCK-ZINC03117866

 MMsINC code: MMs00536918
Type: Ionized
Formula: C7H14NO4P-2
SMILES:   P(=O)([O-])(CN(CCC(=O)[O-])CC)C
InChI:   InChI=1/C7H16NO4P/c1-3-8(5-4-7(9)10)6-13(2,11)12/h3-6H2,1-2H3,(H,9,10)(H,11,12)/p-2

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Potential Energy
Epot(MMFF94)=38.6604 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.166 g/mol  logS: 0.84803  SlogP: -2.3962  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.287865  Sterimol/B1: 2.57571  Sterimol/B2: 2.76874  Sterimol/B3: 4.18615
  Sterimol/B4: 7.07732  Sterimol/L: 11.0701 
 
 Surface and Volume Properties
  Accessible surface: 395.047  Positive charged surface: 217.025  Negative charged surface: 178.022  Volume: 186.875
  Hydrophobic surface: 187.977  Hydrophilic surface: 207.07
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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:


MMs00536917
CHEMBLOCK-ZINC03117866