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PUBCHEM-ZINC01532544

 MMsINC code: MMs02813632
Type: Ionized
Formula: C15H27O4P-2
SMILES:   P(OCCC(CC\C=C(/CCC=C(C)C)\C)C)(=O)([O-])[O-]
InChI:   InChI=1/C15H29O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,15H,5-6,8,10-12H2,1-4H3,(H2,16,17,18)/p-2/b14-9-/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=10.7265 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.351 g/mol  logS: -4.58576  SlogP: 2.2606  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0676665  Sterimol/B1: 2.91437  Sterimol/B2: 4.08664  Sterimol/B3: 4.69751
  Sterimol/B4: 6.93795  Sterimol/L: 16.1514 
 
 Surface and Volume Properties
  Accessible surface: 581.972  Positive charged surface: 346.93  Negative charged surface: 235.042  Volume: 310.375
  Hydrophobic surface: 413.528  Hydrophilic surface: 168.444
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 3  Basic groups: 0
  Chiral centers: 1
 
 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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MMs02813631
PUBCHEM-ZINC01532544