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PUBCHEM-ZINC01535663

 MMsINC code: MMs02813885
Type: Neutral
Formula: C15H27O4P
SMILES:   P(O)(O)(=O)C(O)\C=C(/CC\C=C(/CCC=C(C)C)\C)\C
InChI:   InChI=1/C15H27O4P/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)20(17,18)19/h7,9,11,15-16H,5-6,8,10H2,1-4H3,(H2,17,18,19)/b13-9+,14-11+/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=41.603 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.351 g/mol  logS: -3.46396  SlogP: 2.8315  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0733622  Sterimol/B1: 2.65653  Sterimol/B2: 2.95567  Sterimol/B3: 4.78296
  Sterimol/B4: 6.12868  Sterimol/L: 18.0126 
 
 Surface and Volume Properties
  Accessible surface: 599.447  Positive charged surface: 377.979  Negative charged surface: 221.468  Volume: 308.375
  Hydrophobic surface: 401.577  Hydrophilic surface: 197.87
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: no related molecules available.