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ENAMINE-ZINC03177068

 MMsINC code: MMs01296170
Type: Neutral
Formula: C11H16O3P-
SMILES:   P(Oc1ccc(cc1)C(C)(C)C)(=O)([O-])C
InChI:   InChI=1/C11H17O3P/c1-11(2,3)9-5-7-10(8-6-9)14-15(4,12)13/h5-8H,1-4H3,(H,12,13)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.9362 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.22 g/mol  logS: -3.05938  SlogP: 1.4759  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0730034  Sterimol/B1: 2.39807  Sterimol/B2: 2.69278  Sterimol/B3: 4.75336
  Sterimol/B4: 4.91742  Sterimol/L: 14.0054 
 
 Surface and Volume Properties
  Accessible surface: 447.369  Positive charged surface: 262.337  Negative charged surface: 185.031  Volume: 221.625
  Hydrophobic surface: 310.02  Hydrophilic surface: 137.349
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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


MMs01296171
ENAMINE-ZINC03177068