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ENAMINE-ZINC04628621

 MMsINC code: MMs01550698
Type: Neutral
Formula: C24H28F2N2O2
SMILES:   Fc1ccccc1C(=O)NC1CC(CC(C1)(C)C)(CNC(=O)c1ccccc1F)C
InChI:   InChI=1/C24H28F2N2O2/c1-23(2)12-16(28-22(30)18-9-5-7-11-20(18)26)13-24(3,14-23)15-27-21(29)17-8-4-6-10-19(17)25/h4-11,16H,12-15H2,1-3H3,(H,27,29)(H,28,30)/t16-,24+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.496 g/mol  logS: -6.3259  SlogP: 4.7096  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0934454  Sterimol/B1: 2.00949  Sterimol/B2: 3.86036  Sterimol/B3: 4.04217
  Sterimol/B4: 10.5124  Sterimol/L: 17.4828 
 
 Surface and Volume Properties
  Accessible surface: 667.054  Positive charged surface: 387.004  Negative charged surface: 280.05  Volume: 397.125
  Hydrophobic surface: 569.008  Hydrophilic surface: 98.046
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.