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NCID-ZINC06018403

 MMsINC code: MMs02517532
Type: Neutral
Formula: C18H20F6N2O5
SMILES:   FC(F)(F)CNC(CC(OCC(F)(F)F)=O)C(=O)NC(Cc1ccccc1)C(OC)=O
InChI:   InChI=1/C18H20F6N2O5/c1-30-16(29)13(7-11-5-3-2-4-6-11)26-15(28)12(25-9-17(19,20)21)8-14(27)31-10-18(22,23)24/h2-6,12-13,25H,7-10H2,1H3,(H,26,28)/t12-,13-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.155 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 458.355 g/mol  logS: -4.22366  SlogP: 2.74277  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.159693  Sterimol/B1: 1.97516  Sterimol/B2: 4.03029  Sterimol/B3: 5.42166
  Sterimol/B4: 11.1951  Sterimol/L: 16.6509 
 
 Surface and Volume Properties
  Accessible surface: 699.835  Positive charged surface: 350.487  Negative charged surface: 349.348  Volume: 364.875
  Hydrophobic surface: 392.332  Hydrophilic surface: 307.503
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.