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PUBCHEM-ZINC05761122

 MMsINC code: MMs03374357
Type: Neutral
Formula: C6H15O3P
SMILES:   P(OC(C(C)C)C)(O)(=O)C
InChI:   InChI=1/C6H15O3P/c1-5(2)6(3)9-10(4,7)8/h5-6H,1-4H3,(H,7,8)/t6-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-5.37921 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.157 g/mol  logS: -0.32416  SlogP: 0.7925  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.261865  Sterimol/B1: 2.23733  Sterimol/B2: 2.8852  Sterimol/B3: 3.72677
  Sterimol/B4: 6.08056  Sterimol/L: 9.96061 
 
 Surface and Volume Properties
  Accessible surface: 359.533  Positive charged surface: 239.896  Negative charged surface: 119.637  Volume: 161
  Hydrophobic surface: 210.5  Hydrophilic surface: 149.033
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.