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PUBCHEM-ZINC03149644

 MMsINC code: MMs03001559
Type: Neutral
Formula: C15H34O6P2
SMILES:   P(OC(C)C)(OC(C)C)(=O)C(CP(OC(C)C)(OC(C)C)=O)C
InChI:   InChI=1/C15H34O6P2/c1-11(2)18-22(16,19-12(3)4)10-15(9)23(17,20-13(5)6)21-14(7)8/h11-15H,10H2,1-9H3/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=22.1526 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.379 g/mol  logS: -2.57711  SlogP: 3.3207  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.074203  Sterimol/B1: 2.7966  Sterimol/B2: 3.07565  Sterimol/B3: 4.41217
  Sterimol/B4: 7.46547  Sterimol/L: 15.865 
 
 Surface and Volume Properties
  Accessible surface: 662.013  Positive charged surface: 444.117  Negative charged surface: 217.896  Volume: 366.75
  Hydrophobic surface: 446.374  Hydrophilic surface: 215.639
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.