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APOLLO-ZINC01649985

 MMsINC code: MMs00049676
Type: Neutral
Formula: C9H21O4P
SMILES:   P(OC(C)C)(OC(C)C)(=O)C(O)(C)C
InChI:   InChI=1/C9H21O4P/c1-7(2)12-14(11,9(5,6)10)13-8(3)4/h7-8,10H,1-6H3

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Potential Energy
Epot(MMFF94)=32.5376 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.237 g/mol  logS: -1.42806  SlogP: 1.6877  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.223033  Sterimol/B1: 2.09395  Sterimol/B2: 2.98886  Sterimol/B3: 4.28561
  Sterimol/B4: 8.12743  Sterimol/L: 11.4957 
 
 Surface and Volume Properties
  Accessible surface: 446.974  Positive charged surface: 295.202  Negative charged surface: 151.772  Volume: 223.875
  Hydrophobic surface: 286.115  Hydrophilic surface: 160.859
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.