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PUBCHEM-ZINC05953330

 MMsINC code: MMs03458072
Type: Neutral
Formula: C12H25O5P
SMILES:   P(OCC)(OCC)(=O)CC(=O)C(C(O)(C)C)(C)C
InChI:   InChI=1/C12H25O5P/c1-7-16-18(15,17-8-2)9-10(13)11(3,4)12(5,6)14/h14H,7-9H2,1-6H3

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Potential Energy
Epot(MMFF94)=52.2254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.301 g/mol  logS: -1.33449  SlogP: 1.5485  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.109742  Sterimol/B1: 2.09675  Sterimol/B2: 3.32385  Sterimol/B3: 4.30221
  Sterimol/B4: 7.99937  Sterimol/L: 14.6268 
 
 Surface and Volume Properties
  Accessible surface: 528.618  Positive charged surface: 356.185  Negative charged surface: 172.433  Volume: 271.625
  Hydrophobic surface: 341.717  Hydrophilic surface: 186.901
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.