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ENAMINE-ZINC06085900

MMsINC code: MMs01654896

Type: Neutral
Formula: C20H24FN3O3S
SMILES:   S(=O)(=O)(N(C)C1CCCCC1)c1ccccc1NC(=O)Nc1ccccc1F
InChI:   InChI=1/C20H24FN3O3S/c1-24(15-9-3-2-4-10-15)28(26,27)19-14-8-7-13-18(19)23-20(25)22-17-12-6-5-11-16(17)21/h5-8,11-15H,2-4,9-10H2,1H3,(H2,22,23,25)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=69.8655 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.494 g/mol  logS: -4.93173  SlogP: 4.4229  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176825  Sterimol/B1: 3.27799  Sterimol/B2: 4.03794  Sterimol/B3: 5.84921
  Sterimol/B4: 7.50011  Sterimol/L: 15.203 
 
 Surface and Volume Properties
  Accessible surface: 620.358  Positive charged surface: 368.028  Negative charged surface: 252.33  Volume: 367.75
  Hydrophobic surface: 540.156  Hydrophilic surface: 80.202
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.