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COMGENEX-ZINC06835160

 MMsINC code: MMs01214033
Type: Neutral
Formula: C20H25F3N2O4
SMILES:   FC(F)(F)c1cc(ccc1)C(=O)N1C(COC12CCCCC2)C(=O)NCCOC
InChI:   InChI=1/C20H25F3N2O4/c1-28-11-10-24-17(26)16-13-29-19(8-3-2-4-9-19)25(16)18(27)14-6-5-7-15(12-14)20(21,22)23/h5-7,12,16H,2-4,8-11,13H2,1H3,(H,24,26)/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=304.54 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.424 g/mol  logS: -4.61536  SlogP: 3.2809  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0906367  Sterimol/B1: 2.80074  Sterimol/B2: 3.65024  Sterimol/B3: 3.88951
  Sterimol/B4: 9.64532  Sterimol/L: 15.5613 
 
 Surface and Volume Properties
  Accessible surface: 614.328  Positive charged surface: 397.898  Negative charged surface: 216.43  Volume: 356.125
  Hydrophobic surface: 466.224  Hydrophilic surface: 148.104
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.