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ACROSORGANICS-ZINC01757468

 MMsINC code: MMs00011854
Type: Neutral
Formula: C13H30O6P2
SMILES:   P(OC(C)C)(OC(C)C)(=O)CP(OC(C)C)(OC(C)C)=O
InChI:   InChI=1/C13H30O6P2/c1-10(2)16-20(14,17-11(3)4)9-21(15,18-12(5)6)19-13(7)8/h10-13H,9H2,1-8H3

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Potential Energy
Epot(MMFF94)=5.77311 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.325 g/mol  logS: -1.9554  SlogP: 2.8897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0990581  Sterimol/B1: 2.3024  Sterimol/B2: 2.59494  Sterimol/B3: 4.44322
  Sterimol/B4: 7.13056  Sterimol/L: 14.9266 
 
 Surface and Volume Properties
  Accessible surface: 585.523  Positive charged surface: 385.968  Negative charged surface: 199.555  Volume: 328
  Hydrophobic surface: 390.851  Hydrophilic surface: 194.672
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.