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CHEMBRIDGE-ZINC00197424

 MMsINC code: MMs00594882
Type: Neutral
Formula: C10H15O2P
SMILES:   P(O)(=O)(C(C)(C)C)c1ccccc1
InChI:   InChI=1/C10H15O2P/c1-10(2,3)13(11,12)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.4747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.202 g/mol  logS: -1.81713  SlogP: 1.3106  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.182457  Sterimol/B1: 2.25741  Sterimol/B2: 2.74952  Sterimol/B3: 4.83877
  Sterimol/B4: 5.12999  Sterimol/L: 11.577 
 
 Surface and Volume Properties
  Accessible surface: 389.707  Positive charged surface: 214.29  Negative charged surface: 175.417  Volume: 196.625
  Hydrophobic surface: 276.691  Hydrophilic surface: 113.016
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.