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ENAMINE-ZINC03412539

 MMsINC code: MMs01426717
Type: Neutral
Formula: C21H23F3N2O2
SMILES:   FC(F)(F)c1cc(ccc1)CNC(=O)C(NC(=O)c1cc(ccc1)C)C(C)C
InChI:   InChI=1/C21H23F3N2O2/c1-13(2)18(26-19(27)16-8-4-6-14(3)10-16)20(28)25-12-15-7-5-9-17(11-15)21(22,23)24/h4-11,13,18H,12H2,1-3H3,(H,25,28)(H,26,27)/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.8157 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.421 g/mol  logS: -5.7327  SlogP: 4.66252  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0684429  Sterimol/B1: 2.72336  Sterimol/B2: 4.01337  Sterimol/B3: 5.0997
  Sterimol/B4: 5.3824  Sterimol/L: 19.9836 
 
 Surface and Volume Properties
  Accessible surface: 668.551  Positive charged surface: 338.527  Negative charged surface: 330.023  Volume: 362.5
  Hydrophobic surface: 463.815  Hydrophilic surface: 204.736
 
 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.