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CHEMBRIDGE-ZINC00446664

 MMsINC code: MMs00617604
Type: Neutral
Formula: C10H15O2P
SMILES:   P(=O)(C(O)(C)C)(C)c1ccccc1
InChI:   InChI=1/C10H15O2P/c1-10(2,11)13(3,12)9-7-5-4-6-8-9/h4-8,11H,1-3H3/t13-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.9798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.202 g/mol  logS: -1.43396  SlogP: 0.963  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.21343  Sterimol/B1: 2.00813  Sterimol/B2: 3.08326  Sterimol/B3: 4.38102
  Sterimol/B4: 6.1534  Sterimol/L: 11.5598 
 
 Surface and Volume Properties
  Accessible surface: 392.649  Positive charged surface: 227.268  Negative charged surface: 165.381  Volume: 198.75
  Hydrophobic surface: 288.856  Hydrophilic surface: 103.793
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.