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AURORAFEINCHEMIE-ZINC06083270

 MMsINC code: MMs00476731
Type: Neutral
Formula: C25H25FN2O2
SMILES:   Fc1ccc(cc1)C(=O)NC(C(C)C)C(=O)Nc1ccccc1Cc1ccccc1
InChI:   InChI=1/C25H25FN2O2/c1-17(2)23(28-24(29)19-12-14-21(26)15-13-19)25(30)27-22-11-7-6-10-20(22)16-18-8-4-3-5-9-18/h3-15,17,23H,16H2,1-2H3,(H,27,30)(H,28,29)/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.485 g/mol  logS: -6.3561  SlogP: 4.80957  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0819247  Sterimol/B1: 2.32653  Sterimol/B2: 4.25024  Sterimol/B3: 6.46628
  Sterimol/B4: 6.69056  Sterimol/L: 19.0605 
 
 Surface and Volume Properties
  Accessible surface: 665.714  Positive charged surface: 363.81  Negative charged surface: 301.904  Volume: 394.125
  Hydrophobic surface: 588.358  Hydrophilic surface: 77.356
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.