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ENAMINE-ZINC03036219

 MMsINC code: MMs01289149
Type: Neutral
Formula: C19H21FN2O2
SMILES:   Fc1ccc(cc1)\C=N\NC(=O)COc1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C19H21FN2O2/c1-19(2,3)15-6-10-17(11-7-15)24-13-18(23)22-21-12-14-4-8-16(20)9-5-14/h4-12H,13H2,1-3H3,(H,22,23)/b21-12+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.652 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.387 g/mol  logS: -5.92953  SlogP: 3.6523  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0143931  Sterimol/B1: 2.37515  Sterimol/B2: 3.8201  Sterimol/B3: 4.28003
  Sterimol/B4: 4.87408  Sterimol/L: 21.134 
 
 Surface and Volume Properties
  Accessible surface: 627.265  Positive charged surface: 371.415  Negative charged surface: 255.85  Volume: 327.875
  Hydrophobic surface: 481.455  Hydrophilic surface: 145.81
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.