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ENAMINE-ZINC06112750

 MMsINC code: MMs01657244
Type: Neutral
Formula: C23H24FN3O3
SMILES:   Fc1ccc(N(C(=O)COC(=O)c2c(n(nc2C)Cc2ccccc2)C)CC)cc1
InChI:   InChI=1/C23H24FN3O3/c1-4-26(20-12-10-19(24)11-13-20)21(28)15-30-23(29)22-16(2)25-27(17(22)3)14-18-8-6-5-7-9-18/h5-13H,4,14-15H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=117.089 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.461 g/mol  logS: -5.00397  SlogP: 4.16364  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105697  Sterimol/B1: 2.53562  Sterimol/B2: 4.23587  Sterimol/B3: 4.7095
  Sterimol/B4: 8.24658  Sterimol/L: 16.9022 
 
 Surface and Volume Properties
  Accessible surface: 721.365  Positive charged surface: 406.894  Negative charged surface: 314.472  Volume: 396.625
  Hydrophobic surface: 611.446  Hydrophilic surface: 109.919
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.