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CHEMBRIDGE-ZINC02485724

 MMsINC code: MMs00710513
Type: Neutral
Formula: C12H19O2P
SMILES:   P(O)(=O)(CCCCCC)c1ccccc1
InChI:   InChI=1/C12H19O2P/c1-2-3-4-8-11-15(13,14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3,(H,13,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.1428 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.256 g/mol  logS: -2.91014  SlogP: 2.0924  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0562223  Sterimol/B1: 3.00708  Sterimol/B2: 3.77887  Sterimol/B3: 4.02121
  Sterimol/B4: 4.27072  Sterimol/L: 16.4286 
 
 Surface and Volume Properties
  Accessible surface: 477.564  Positive charged surface: 304.035  Negative charged surface: 173.529  Volume: 232.875
  Hydrophobic surface: 388.166  Hydrophilic surface: 89.398
 
 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.