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PUBCHEM-ZINC03869883

 MMsINC code: MMs03079012
Type: Neutral
Formula: C12H25O4P
SMILES:   P(OCCC(CCC\C=C(\CC)/C)C)(O)(O)=O
InChI:   InChI=1/C12H25O4P/c1-4-11(2)7-5-6-8-12(3)9-10-16-17(13,14)15/h7,12H,4-6,8-10H2,1-3H3,(H2,13,14,15)/b11-7-/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=-41.8638 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.302 g/mol  logS: -3.6193  SlogP: 2.5783  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0559612  Sterimol/B1: 2.35525  Sterimol/B2: 3.11549  Sterimol/B3: 3.48995
  Sterimol/B4: 5.61332  Sterimol/L: 17.762 
 
 Surface and Volume Properties
  Accessible surface: 548.955  Positive charged surface: 365.204  Negative charged surface: 183.751  Volume: 265.625
  Hydrophobic surface: 341.461  Hydrophilic surface: 207.494
 
 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


MMs03079013
PUBCHEM-ZINC03869883