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PUBCHEM-ZINC00664639

 MMsINC code: MMs02723085
Type: Neutral
Formula: C23H23ClN2O4S
SMILES:   Clc1ccc(cc1)CNC(=O)COc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1
InChI:   InChI=1/C23H23ClN2O4S/c1-17(19-5-3-2-4-6-19)26-31(28,29)22-13-11-21(12-14-22)30-16-23(27)25-15-18-7-9-20(24)10-8-18/h2-14,17,26H,15-16H2,1H3,(H,25,27)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.0301 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 458.966 g/mol  logS: -6.04311  SlogP: 4.4366  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0369568  Sterimol/B1: 2.60761  Sterimol/B2: 5.01453  Sterimol/B3: 5.36408
  Sterimol/B4: 5.8977  Sterimol/L: 22.4647 
 
 Surface and Volume Properties
  Accessible surface: 752.029  Positive charged surface: 378.829  Negative charged surface: 373.2  Volume: 415.125
  Hydrophobic surface: 598.115  Hydrophilic surface: 153.914
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.