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APOLLO-ZINC02557700

 MMsINC code: MMs00053522
Type: Neutral
Formula: C12H14F3O4P
SMILES:   P(OCC)(OCC)(=O)C(=O)c1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C12H14F3O4P/c1-3-18-20(17,19-4-2)11(16)9-6-5-7-10(8-9)12(13,14)15/h5-8H,3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.6918 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.208 g/mol  logS: -3.47756  SlogP: 3.353  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0599036  Sterimol/B1: 2.43059  Sterimol/B2: 3.39492  Sterimol/B3: 3.77002
  Sterimol/B4: 7.5478  Sterimol/L: 15.0697 
 
 Surface and Volume Properties
  Accessible surface: 520.647  Positive charged surface: 254.709  Negative charged surface: 265.937  Volume: 252.5
  Hydrophobic surface: 293.785  Hydrophilic surface: 226.862
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  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: no related molecules available.