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PUBCHEM-ZINC04185237

 MMsINC code: MMs03097005
Type: Neutral
Formula: C26H29F3N4O4
SMILES:   FC(F)(F)c1cc(ccc1)C(=O)N1CCC2(N(CN(CC(=O)NCCOC)C2=O)c2ccccc2
)CC1
InChI:   InChI=1/C26H29F3N4O4/c1-37-15-12-30-22(34)17-32-18-33(21-8-3-2-4-9-21)25(24(32)36)10-13-31(14-11-25)23(35)19-6-5-7-20(16-19)26(27,28)29/h2-9,16H,10-15,17-18H2,1H3,(H,30,34)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=235.569 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 518.536 g/mol  logS: -4.99183  SlogP: 3.0606  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0553877  Sterimol/B1: 3.43243  Sterimol/B2: 4.32368  Sterimol/B3: 4.74927
  Sterimol/B4: 9.1024  Sterimol/L: 21.738 
 
 Surface and Volume Properties
  Accessible surface: 788.274  Positive charged surface: 484.689  Negative charged surface: 303.584  Volume: 456.625
  Hydrophobic surface: 578.135  Hydrophilic surface: 210.139
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.