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DSC-ZINC01558670

 MMsINC code: MMs01221664
Type: Neutral
Formula: C8H19O4P
SMILES:   P(OC(C)(C)C)(OC(C)(C)C)(O)=O
InChI:   InChI=1/C8H19O4P/c1-7(2,3)11-13(9,10)12-8(4,5)6/h1-6H3,(H,9,10)

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Potential Energy
Epot(MMFF94)=-7.11872 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.21 g/mol  logS: -1.48402  SlogP: 1.6468  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142096  Sterimol/B1: 2.48401  Sterimol/B2: 2.59092  Sterimol/B3: 4.3415
  Sterimol/B4: 4.84324  Sterimol/L: 12.2514 
 
 Surface and Volume Properties
  Accessible surface: 416.584  Positive charged surface: 276.052  Negative charged surface: 140.532  Volume: 201.75
  Hydrophobic surface: 255.29  Hydrophilic surface: 161.294
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs01221665
DSC-ZINC01558670