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ENAMINE-ZINC02620101

 MMsINC code: MMs01254785
Type: Neutral
Formula: C20H19FN2O3
SMILES:   Fc1cc(ccc1OC)CN1C(=O)C2(NC1=O)CCCc1c2cccc1
InChI:   InChI=1/C20H19FN2O3/c1-26-17-9-8-13(11-16(17)21)12-23-18(24)20(22-19(23)25)10-4-6-14-5-2-3-7-15(14)20/h2-3,5,7-9,11H,4,6,10,12H2,1H3,(H,22,25)/t20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.4392 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.381 g/mol  logS: -4.81651  SlogP: 3.69577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0832548  Sterimol/B1: 3.94359  Sterimol/B2: 4.12519  Sterimol/B3: 4.69139
  Sterimol/B4: 5.80861  Sterimol/L: 17.234 
 
 Surface and Volume Properties
  Accessible surface: 577.198  Positive charged surface: 361.627  Negative charged surface: 215.57  Volume: 325.875
  Hydrophobic surface: 489.68  Hydrophilic surface: 87.518
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.