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PUBCHEM-ZINC03165264

 MMsINC code: MMs03004090
Type: Neutral
Formula: C7H17OP
SMILES:   P(=O)(CCC)(CCC)C
InChI:   InChI=1/C7H17OP/c1-4-6-9(3,8)7-5-2/h4-7H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.36488 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.186 g/mol  logS: -0.16022  SlogP: 1.7291  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0830231  Sterimol/B1: 2.524  Sterimol/B2: 2.77054  Sterimol/B3: 3.76206
  Sterimol/B4: 4.66117  Sterimol/L: 12.7132 
 
 Surface and Volume Properties
  Accessible surface: 370.828  Positive charged surface: 262.165  Negative charged surface: 108.663  Volume: 168
  Hydrophobic surface: 279.378  Hydrophilic surface: 91.45
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.