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CHEMBRIDGE-ZINC01061348

 MMsINC code: MMs00656041
Type: Neutral
Formula: C21H23F3N2O2
SMILES:   FC(F)(F)c1cc(NC(=O)C(NC(=O)c2ccc(cc2)CC)C(C)C)ccc1
InChI:   InChI=1/C21H23F3N2O2/c1-4-14-8-10-15(11-9-14)19(27)26-18(13(2)3)20(28)25-17-7-5-6-16(12-17)21(22,23)24/h5-13,18H,4H2,1-3H3,(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)=107.434 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.421 g/mol  logS: -6.30388  SlogP: 4.97237  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0812267  Sterimol/B1: 3.21892  Sterimol/B2: 3.44519  Sterimol/B3: 4.80365
  Sterimol/B4: 7.31892  Sterimol/L: 19.4948 
 
 Surface and Volume Properties
  Accessible surface: 665.467  Positive charged surface: 345.114  Negative charged surface: 320.353  Volume: 361.75
  Hydrophobic surface: 447.23  Hydrophilic surface: 218.237
 
 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.