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PUBCHEM-ZINC01445007

 MMsINC code: MMs02806317
Type: Neutral
Formula: C7H17O2P
SMILES:   P(OCC)(OCC)CCC
InChI:   InChI=1/C7H17O2P/c1-4-7-10(8-5-2)9-6-3/h4-7H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.2949 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.185 g/mol  logS: -0.94426  SlogP: 2.7813  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0909732  Sterimol/B1: 2.10512  Sterimol/B2: 2.54053  Sterimol/B3: 3.48009
  Sterimol/B4: 8.14688  Sterimol/L: 11.7977 
 
 Surface and Volume Properties
  Accessible surface: 406.199  Positive charged surface: 317.538  Negative charged surface: 88.6609  Volume: 176.625
  Hydrophobic surface: 322.314  Hydrophilic surface: 83.885
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.