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PUBCHEM-ZINC01532544

 MMsINC code: MMs02813631
Type: Neutral
Formula: C15H29O4P
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)/b14-9-/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=-15.9542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.367 g/mol  logS: -4.44272  SlogP: 3.5246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0662914  Sterimol/B1: 2.99077  Sterimol/B2: 3.88602  Sterimol/B3: 5.35721
  Sterimol/B4: 6.14404  Sterimol/L: 16.3554 
 
 Surface and Volume Properties
  Accessible surface: 605.31  Positive charged surface: 398.553  Negative charged surface: 206.758  Volume: 312.5
  Hydrophobic surface: 413.864  Hydrophilic surface: 191.446
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules


MMs02813632
PUBCHEM-ZINC01532544