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ENAMINE-ZINC03367569

 MMsINC code: MMs01399572
Type: Neutral
Formula: C20H23FN2O2
SMILES:   Fc1ccc(NC(=O)C(NC2CCC(O)CC2)c2ccccc2)cc1
InChI:   InChI=1/C20H23FN2O2/c21-15-6-8-17(9-7-15)23-20(25)19(14-4-2-1-3-5-14)22-16-10-12-18(24)13-11-16/h1-9,16,18-19,22,24H,10-13H2,(H,23,25)/t16-,18+,19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.6945 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.414 g/mol  logS: -4.17017  SlogP: 3.4941  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104227  Sterimol/B1: 2.5382  Sterimol/B2: 3.5205  Sterimol/B3: 4.19382
  Sterimol/B4: 8.76009  Sterimol/L: 16.6887 
 
 Surface and Volume Properties
  Accessible surface: 598.804  Positive charged surface: 371.9  Negative charged surface: 226.905  Volume: 331.125
  Hydrophobic surface: 519.525  Hydrophilic surface: 79.279
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.