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PUBCHEM-ZINC05840872

MMsINC code: MMs03410709

Type: Neutral
Formula: C7H17NO6P2
SMILES:   P(O)(O)(=O)C(P(O)(O)=O)N1CCCCCC1
InChI:   InChI=1/C7H17NO6P2/c9-15(10,11)7(16(12,13)14)8-5-3-1-2-4-6-8/h7H,1-6H2,(H2,9,10,11)(H2,12,13,14)

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Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=-1.21251 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.162 g/mol  logS: 1.4582  SlogP: -1.639  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.232761  Sterimol/B1: 3.02603  Sterimol/B2: 4.24194  Sterimol/B3: 4.2956
  Sterimol/B4: 4.35092  Sterimol/L: 11.0075 
 
 Surface and Volume Properties
  Accessible surface: 404.986  Positive charged surface: 253.492  Negative charged surface: 151.494  Volume: 215
  Hydrophobic surface: 198.266  Hydrophilic surface: 206.72
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.