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ENAMINE-ZINC03164699

 MMsINC code: MMs01292157
Type: Neutral
Formula: C19H18ClF2NO4S
SMILES:   Clc1ccc(S(=O)(=O)C2(CCCC2)C(=O)Nc2ccc(OC(F)F)cc2)cc1
InChI:   InChI=1/C19H18ClF2NO4S/c20-13-3-9-16(10-4-13)28(25,26)19(11-1-2-12-19)17(24)23-14-5-7-15(8-6-14)27-18(21)22/h3-10,18H,1-2,11-12H2,(H,23,24)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.5277 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 429.871 g/mol  logS: -5.34646  SlogP: 5.0865  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13973  Sterimol/B1: 3.3643  Sterimol/B2: 3.64291  Sterimol/B3: 5.11145
  Sterimol/B4: 9.75734  Sterimol/L: 14.6132 
 
 Surface and Volume Properties
  Accessible surface: 606.389  Positive charged surface: 282.768  Negative charged surface: 323.621  Volume: 352
  Hydrophobic surface: 452.468  Hydrophilic surface: 153.921
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.