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PUBCHEM-ZINC05650888

 MMsINC code: MMs03337187
Type: Neutral
Formula: C6H16O7P2
SMILES:   P(OCC)(OCC)(OP(OCC)(O)=O)=O
InChI:   InChI=1/C6H16O7P2/c1-4-10-14(7,8)13-15(9,11-5-2)12-6-3/h4-6H2,1-3H3,(H,7,8)

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Potential Energy
Epot(MMFF94)=-77.3486 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.135 g/mol  logS: -0.63515  SlogP: 0.1806  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109549  Sterimol/B1: 2.19126  Sterimol/B2: 4.21101  Sterimol/B3: 5.28013
  Sterimol/B4: 5.83119  Sterimol/L: 14.4545 
 
 Surface and Volume Properties
  Accessible surface: 493.819  Positive charged surface: 322.167  Negative charged surface: 171.653  Volume: 216.75
  Hydrophobic surface: 290.213  Hydrophilic surface: 203.606
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.