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PUBCHEM-ZINC05360224

 MMsINC code: MMs03248340
Type: Neutral
Formula: C9H14OP+
SMILES:   [P+](C)(C)(C)c1ccc(O)cc1
InChI:   InChI=1/C9H13OP/c1-11(2,3)9-6-4-8(10)5-7-9/h4-7H,1-3H3/p+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.5576 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.184 g/mol  logS: -0.58327  SlogP: 1.9245  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.180822  Sterimol/B1: 2.0124  Sterimol/B2: 3.86112  Sterimol/B3: 3.86499
  Sterimol/B4: 5.07743  Sterimol/L: 10.9578 
 
 Surface and Volume Properties
  Accessible surface: 380.223  Positive charged surface: 241.717  Negative charged surface: 138.505  Volume: 182.25
  Hydrophobic surface: 270.925  Hydrophilic surface: 109.298
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  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.