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PUBCHEM-ZINC04184818

 MMsINC code: MMs03096903
Type: Neutral
Formula: C26H30F3N5O4
SMILES:   FC(F)(F)c1ccc(NC(=O)N2CCC3(N(CN(CC(=O)NCCOC)C3=O)c3ccccc3)CC
2)cc1
InChI:   InChI=1/C26H30F3N5O4/c1-38-16-13-30-22(35)17-33-18-34(21-5-3-2-4-6-21)25(23(33)36)11-14-32(15-12-25)24(37)31-20-9-7-19(8-10-20)26(27,28)29/h2-10H,11-18H2,1H3,(H,30,35)(H,31,37)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=209.582 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 533.551 g/mol  logS: -4.88901  SlogP: 3.4523  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0392205  Sterimol/B1: 3.05569  Sterimol/B2: 3.23629  Sterimol/B3: 4.0221
  Sterimol/B4: 10.3232  Sterimol/L: 23.7034 
 
 Surface and Volume Properties
  Accessible surface: 820.713  Positive charged surface: 520.632  Negative charged surface: 300.081  Volume: 468.25
  Hydrophobic surface: 612.369  Hydrophilic surface: 208.344
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.