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PUBCHEM-ZINC05955507

 MMsINC code: MMs03459138
Type: Neutral
Formula: C7H17O2P
SMILES:   P(OCC(C)C)(=O)(CC)C
InChI:   InChI=1/C7H17O2P/c1-5-10(4,8)9-6-7(2)3/h7H,5-6H2,1-4H3/t10-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.31838 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.185 g/mol  logS: -0.41478  SlogP: 1.5166  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162367  Sterimol/B1: 2.02816  Sterimol/B2: 3.50102  Sterimol/B3: 3.6204
  Sterimol/B4: 6.07686  Sterimol/L: 11.165 
 
 Surface and Volume Properties
  Accessible surface: 391.043  Positive charged surface: 274.895  Negative charged surface: 116.148  Volume: 175.125
  Hydrophobic surface: 281.031  Hydrophilic surface: 110.012
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.