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ENAMINE-ZINC02645904

 MMsINC code: MMs01272120
Type: Neutral
Formula: C19H20FN3O7S2
SMILES:   S(=O)(=O)(N1CCOCC1)c1cc(ccc1F)C(=O)Nc1ccc(S(=O)(=O)NC(=O)C)c
c1
InChI:   InChI=1/C19H20FN3O7S2/c1-13(24)22-31(26,27)16-5-3-15(4-6-16)21-19(25)14-2-7-17(20)18(12-14)32(28,29)23-8-10-30-11-9-23/h2-7,12H,8-11H2,1H3,(H,21,25)(H,22,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.7494 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 485.513 g/mol  logS: -4.28743  SlogP: 0.9237  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0315465  Sterimol/B1: 3.53455  Sterimol/B2: 3.9586  Sterimol/B3: 4.40739
  Sterimol/B4: 6.12284  Sterimol/L: 21.917 
 
 Surface and Volume Properties
  Accessible surface: 696.949  Positive charged surface: 397.133  Negative charged surface: 299.816  Volume: 389.25
  Hydrophobic surface: 481.862  Hydrophilic surface: 215.087
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 7  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: 0
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Ions/Tautomers related molecules: no related molecules available.