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PUBCHEM-ZINC04466736

 MMsINC code: MMs03123100
Type: Neutral
Formula: C20H24FNO
SMILES:   Fc1ccc(NC(=O)C2C3C2CC\C=C/CC\C=C/CC3)cc1
InChI:   InChI=1/C20H24FNO/c21-15-11-13-16(14-12-15)22-20(23)19-17-9-7-5-3-1-2-4-6-8-10-18(17)19/h3-6,11-14,17-19H,1-2,7-10H2,(H,22,23)/b5-3-,6-4-/t17-,18+,19-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=142.598 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.416 g/mol  logS: -4.91233  SlogP: 5.093  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.241003  Sterimol/B1: 3.49839  Sterimol/B2: 3.73227  Sterimol/B3: 5.413
  Sterimol/B4: 5.88421  Sterimol/L: 14.6167 
 
 Surface and Volume Properties
  Accessible surface: 545.966  Positive charged surface: 351.439  Negative charged surface: 194.526  Volume: 315.75
  Hydrophobic surface: 466.987  Hydrophilic surface: 78.979
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.