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CHEMDIV-ZINC04760411

 MMsINC code: MMs00948276
Type: Neutral
Formula: C25H21F3N2O4
SMILES:   Fc1ccccc1C1N(C)C(=O)c2c(cc(OC)c(OC)c2)C1C(=O)Nc1ccc(F)cc1F
InChI:   InChI=1/C25H21F3N2O4/c1-30-23(14-6-4-5-7-17(14)27)22(24(31)29-19-9-8-13(26)10-18(19)28)15-11-20(33-2)21(34-3)12-16(15)25(30)32/h4-12,22-23H,1-3H3,(H,29,31)/t22-,23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=153.368 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.447 g/mol  logS: -6.23348  SlogP: 4.7658  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.226442  Sterimol/B1: 2.12453  Sterimol/B2: 2.36232  Sterimol/B3: 7.65876
  Sterimol/B4: 10.5869  Sterimol/L: 16.438 
 
 Surface and Volume Properties
  Accessible surface: 673.472  Positive charged surface: 437.414  Negative charged surface: 236.058  Volume: 404.875
  Hydrophobic surface: 610.972  Hydrophilic surface: 62.5
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0
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Ions/Tautomers related molecules: no related molecules available.