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ENAMINE-ZINC03416024

 MMsINC code: MMs01428860
Type: Neutral
Formula: C25H24FN3O4
SMILES:   Fc1ccc(NC(=O)CN(C(=O)COc2ccccc2C(=O)NCc2ccccc2)C)cc1
InChI:   InChI=1/C25H24FN3O4/c1-29(16-23(30)28-20-13-11-19(26)12-14-20)24(31)17-33-22-10-6-5-9-21(22)25(32)27-15-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H,27,32)(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=129.362 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 449.482 g/mol  logS: -5.70728  SlogP: 3.498  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0574515  Sterimol/B1: 3.4472  Sterimol/B2: 3.51157  Sterimol/B3: 4.77071
  Sterimol/B4: 8.42592  Sterimol/L: 21.9841 
 
 Surface and Volume Properties
  Accessible surface: 772.31  Positive charged surface: 469.535  Negative charged surface: 302.774  Volume: 424.375
  Hydrophobic surface: 661.847  Hydrophilic surface: 110.463
 
 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.