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ASINEX-ZINC01367102

 MMsINC code: MMs00249336
Type: Neutral
Formula: C23H24FN3O3
SMILES:   Fc1ccc(cc1)CN(CC1=Cc2cc(ccc2NC1=O)C)C(=O)N1CCOCC1
InChI:   InChI=1/C23H24FN3O3/c1-16-2-7-21-18(12-16)13-19(22(28)25-21)15-27(14-17-3-5-20(24)6-4-17)23(29)26-8-10-30-11-9-26/h2-7,12-13H,8-11,14-15H2,1H3,(H,25,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=253.989 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.461 g/mol  logS: -4.85487  SlogP: 3.69042  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0672884  Sterimol/B1: 3.47117  Sterimol/B2: 3.49424  Sterimol/B3: 5.14413
  Sterimol/B4: 7.35553  Sterimol/L: 17.6884 
 
 Surface and Volume Properties
  Accessible surface: 626.457  Positive charged surface: 408.18  Negative charged surface: 218.278  Volume: 377.125
  Hydrophobic surface: 532.974  Hydrophilic surface: 93.483
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.