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PUBCHEM-ZINC05355574

 MMsINC code: MMs03246845
Type: Neutral
Formula: C11H17O2P
SMILES:   [PH](OC)(=O)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C11H17O2P/c1-11(2,3)9-5-7-10(8-6-9)14(12)13-4/h5-8,14H,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.4817 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.229 g/mol  logS: -3.81159  SlogP: 1.6603  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0753858  Sterimol/B1: 2.44342  Sterimol/B2: 3.40352  Sterimol/B3: 4.27833
  Sterimol/B4: 4.77495  Sterimol/L: 13.4215 
 
 Surface and Volume Properties
  Accessible surface: 442.411  Positive charged surface: 271.873  Negative charged surface: 170.538  Volume: 215.125
  Hydrophobic surface: 349.269  Hydrophilic surface: 93.142
 
 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.