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PUBCHEM-ZINC02510776

 MMsINC code: MMs02890996
Type: Neutral
Formula: C7H15O3P
SMILES:   P(OC1CCCCC1)(O)(=O)C
InChI:   InChI=1/C7H15O3P/c1-11(8,9)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,8,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-12.0306 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.168 g/mol  logS: -0.73734  SlogP: 1.0807  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109784  Sterimol/B1: 2.54201  Sterimol/B2: 3.28414  Sterimol/B3: 3.89692
  Sterimol/B4: 3.99362  Sterimol/L: 11.8942 
 
 Surface and Volume Properties
  Accessible surface: 376.159  Positive charged surface: 259.115  Negative charged surface: 117.044  Volume: 165.875
  Hydrophobic surface: 273.385  Hydrophilic surface: 102.774
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.