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ENAMINE-ZINC06928574

 MMsINC code: MMs01712518
Type: Neutral
Formula: C23H23FN2O2
SMILES:   Fc1ccccc1OCCNC(C(=O)Nc1ccc(cc1)C)c1ccccc1
InChI:   InChI=1/C23H23FN2O2/c1-17-11-13-19(14-12-17)26-23(27)22(18-7-3-2-4-8-18)25-15-16-28-21-10-6-5-9-20(21)24/h2-14,22,25H,15-16H2,1H3,(H,26,27)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.885 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.447 g/mol  logS: -5.73543  SlogP: 4.57802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.096146  Sterimol/B1: 2.39462  Sterimol/B2: 3.56422  Sterimol/B3: 5.01486
  Sterimol/B4: 9.48538  Sterimol/L: 19.1828 
 
 Surface and Volume Properties
  Accessible surface: 685.253  Positive charged surface: 409.934  Negative charged surface: 275.319  Volume: 372.375
  Hydrophobic surface: 646.159  Hydrophilic surface: 39.094
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.