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ENAMINE-ZINC03397172

 MMsINC code: MMs01417809
Type: Neutral
Formula: C19H21ClFN3O5S
SMILES:   Clc1ccc(cc1S(=O)(=O)N(CC)CC)C(=O)NNC(=O)COc1ccccc1F
InChI:   InChI=1/C19H21ClFN3O5S/c1-3-24(4-2)30(27,28)17-11-13(9-10-14(17)20)19(26)23-22-18(25)12-29-16-8-6-5-7-15(16)21/h5-11H,3-4,12H2,1-2H3,(H,22,25)(H,23,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.461 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 457.91 g/mol  logS: -5.25747  SlogP: 2.3496  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0243189  Sterimol/B1: 2.36997  Sterimol/B2: 3.76561  Sterimol/B3: 5.60788
  Sterimol/B4: 6.31142  Sterimol/L: 21.7373 
 
 Surface and Volume Properties
  Accessible surface: 692.947  Positive charged surface: 363.186  Negative charged surface: 329.761  Volume: 385.875
  Hydrophobic surface: 490.949  Hydrophilic surface: 201.998
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.