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ENAMINE-ZINC03323269

 MMsINC code: MMs01371441
Type: Neutral
Formula: C21H23FN2O2
SMILES:   Fc1ccc(cc1)C(NC(=O)C1CC(=O)N(C1)Cc1ccc(cc1)C)C
InChI:   InChI=1/C21H23FN2O2/c1-14-3-5-16(6-4-14)12-24-13-18(11-20(24)25)21(26)23-15(2)17-7-9-19(22)10-8-17/h3-10,15,18H,11-13H2,1-2H3,(H,23,26)/t15-,18+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.527 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.425 g/mol  logS: -4.24884  SlogP: 3.72192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0892275  Sterimol/B1: 2.49697  Sterimol/B2: 3.42983  Sterimol/B3: 5.23471
  Sterimol/B4: 6.35037  Sterimol/L: 18.9654 
 
 Surface and Volume Properties
  Accessible surface: 644.127  Positive charged surface: 383.152  Negative charged surface: 260.975  Volume: 347.625
  Hydrophobic surface: 550.349  Hydrophilic surface: 93.778
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.