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PUBCHEM-ZINC05860412

 MMsINC code: MMs03421784
Type: Neutral
Formula: C9H21NO6P2
SMILES:   P(OC)(OP(OCC)OCC)(=O)N1CCOCC1
InChI:   InChI=1/C9H21NO6P2/c1-4-14-17(15-5-2)16-18(11,12-3)10-6-8-13-9-7-10/h4-9H2,1-3H3/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=2.2249 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.216 g/mol  logS: -0.61239  SlogP: 1.3194  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.20931  Sterimol/B1: 2.16434  Sterimol/B2: 4.18144  Sterimol/B3: 4.67466
  Sterimol/B4: 8.83932  Sterimol/L: 12.7028 
 
 Surface and Volume Properties
  Accessible surface: 547.86  Positive charged surface: 458.919  Negative charged surface: 88.9405  Volume: 265.75
  Hydrophobic surface: 441.649  Hydrophilic surface: 106.211
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  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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Ions/Tautomers related molecules: no related molecules available.