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PUBCHEM-ZINC01532542

 MMsINC code: MMs02813629
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-/m0/s1

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Potential Energy
Epot(MMFF94)=-15.5255 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: 0.0998413  Sterimol/B1: 1.969  Sterimol/B2: 4.65072  Sterimol/B3: 5.5118
  Sterimol/B4: 6.85702  Sterimol/L: 16.1583 
 
 Surface and Volume Properties
  Accessible surface: 615.289  Positive charged surface: 403.462  Negative charged surface: 211.827  Volume: 313.25
  Hydrophobic surface: 416.076  Hydrophilic surface: 199.213
 
 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


MMs02813630
PUBCHEM-ZINC01532542