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PUBCHEM-ZINC04872535

 MMsINC code: MMs03180289
Type: Neutral
Formula: C23H25FN4O3
SMILES:   Fc1ccc(-n2nc(C)c(-c3ccccc3)c2NC(=O)CCC(=O)NCCOC)cc1
InChI:   InChI=1/C23H25FN4O3/c1-16-22(17-6-4-3-5-7-17)23(28(27-16)19-10-8-18(24)9-11-19)26-21(30)13-12-20(29)25-14-15-31-2/h3-11H,12-15H2,1-2H3,(H,25,29)(H,26,30)

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Potential Energy
Epot(MMFF94)=118.512 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.476 g/mol  logS: -5.16594  SlogP: 3.46812  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0959191  Sterimol/B1: 2.69398  Sterimol/B2: 5.20085  Sterimol/B3: 5.55671
  Sterimol/B4: 10.0589  Sterimol/L: 18.0408 
 
 Surface and Volume Properties
  Accessible surface: 744.685  Positive charged surface: 495.151  Negative charged surface: 249.533  Volume: 406.125
  Hydrophobic surface: 654.755  Hydrophilic surface: 89.93
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.