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NCID-ZINC01676569

 MMsINC code: MMs02311723
Type: Neutral
Formula: C9H21O4P
SMILES:   P(OC(CC(C)C)CC(C)C)(O)(O)=O
InChI:   InChI=1/C9H21O4P/c1-7(2)5-9(6-8(3)4)13-14(10,11)12/h7-9H,5-6H2,1-4H3,(H2,10,11,12)

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Potential Energy
Epot(MMFF94)=-48.8317 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.237 g/mol  logS: -2.29442  SlogP: 1.4863  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.234166  Sterimol/B1: 1.98643  Sterimol/B2: 4.37487  Sterimol/B3: 4.77878
  Sterimol/B4: 6.00703  Sterimol/L: 10.957 
 
 Surface and Volume Properties
  Accessible surface: 435.782  Positive charged surface: 280.721  Negative charged surface: 155.061  Volume: 218.875
  Hydrophobic surface: 232.425  Hydrophilic surface: 203.357
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02311724
NCID-ZINC01676569