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ACROSORGANICS-ZINC02567892

 MMsINC code: MMs00014486
Type: Neutral
Formula: C9H21O6P3
SMILES:   P1(OP(OP(O1)(=O)CCC)(=O)CCC)(=O)CCC
InChI:   InChI=1/C9H21O6P3/c1-4-7-16(10)13-17(11,8-5-2)15-18(12,14-16)9-6-3/h4-9H2,1-3H3/t16-,17-,18-

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Potential Energy
Epot(MMFF94)=-66.6512 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.183 g/mol  logS: -0.96092  SlogP: 1.6485  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0848232  Sterimol/B1: 2.5162  Sterimol/B2: 2.84936  Sterimol/B3: 5.0749
  Sterimol/B4: 10.0814  Sterimol/L: 14.5272 
 
 Surface and Volume Properties
  Accessible surface: 542.615  Positive charged surface: 351.25  Negative charged surface: 191.365  Volume: 269.125
  Hydrophobic surface: 371.55  Hydrophilic surface: 171.065
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.