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ASINEX-ZINC00922570

 MMsINC code: MMs00221918
Type: Neutral
Formula: C19H22N2O4S2
SMILES:   S(=O)(=O)(N1CCCC1)c1ccc(S(=O)(=O)NC2CCc3c2cccc3)cc1
InChI:   InChI=1/C19H22N2O4S2/c22-26(23,20-19-12-7-15-5-1-2-6-18(15)19)16-8-10-17(11-9-16)27(24,25)21-13-3-4-14-21/h1-2,5-6,8-11,19-20H,3-4,7,12-14H2/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.4026 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.527 g/mol  logS: -3.84234  SlogP: 2.53237  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0869496  Sterimol/B1: 2.50346  Sterimol/B2: 3.63903  Sterimol/B3: 4.99811
  Sterimol/B4: 7.63071  Sterimol/L: 17.2525 
 
 Surface and Volume Properties
  Accessible surface: 627.716  Positive charged surface: 370.281  Negative charged surface: 257.434  Volume: 356.75
  Hydrophobic surface: 493.445  Hydrophilic surface: 134.271
 
 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.