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CHEMDIV-ZINC02721428

 MMsINC code: MMs00886236
Type: Neutral
Formula: C26H25ClFN3O4
SMILES:   Clc1cccc(F)c1Cn1c2c(nc1CCNC(=O)c1cc(OC)c(OC)c(OC)c1)cccc2
InChI:   InChI=1/C26H25ClFN3O4/c1-33-22-13-16(14-23(34-2)25(22)35-3)26(32)29-12-11-24-30-20-9-4-5-10-21(20)31(24)15-17-18(27)7-6-8-19(17)28/h4-10,13-14H,11-12,15H2,1-3H3,(H,29,32)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=144.394 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 497.954 g/mol  logS: -6.45422  SlogP: 5.14177  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0685381  Sterimol/B1: 2.15781  Sterimol/B2: 2.46723  Sterimol/B3: 5.70586
  Sterimol/B4: 9.95408  Sterimol/L: 19.5496 
 
 Surface and Volume Properties
  Accessible surface: 766.655  Positive charged surface: 519.44  Negative charged surface: 247.215  Volume: 450.875
  Hydrophobic surface: 673.974  Hydrophilic surface: 92.681
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.