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PUBCHEM-ZINC02995041

 MMsINC code: MMs02977041
Type: Neutral
Formula: C20H22ClFN2O4S
SMILES:   Clc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)CC(=O)NCC2OCCC2)cc1
InChI:   InChI=1/C20H22ClFN2O4S/c21-16-5-9-19(10-6-16)29(26,27)24(13-15-3-7-17(22)8-4-15)14-20(25)23-12-18-2-1-11-28-18/h3-10,18H,1-2,11-14H2,(H,23,25)/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.3579 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 440.923 g/mol  logS: -4.9632  SlogP: 3.2316  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0637641  Sterimol/B1: 2.38531  Sterimol/B2: 4.21682  Sterimol/B3: 4.96885
  Sterimol/B4: 9.11139  Sterimol/L: 17.8062 
 
 Surface and Volume Properties
  Accessible surface: 673.944  Positive charged surface: 384.223  Negative charged surface: 289.721  Volume: 381.375
  Hydrophobic surface: 585.639  Hydrophilic surface: 88.305
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.