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ASINEX-ZINC04999558

 MMsINC code: MMs00428429
Type: Neutral
Formula: C19H20N4O3S2
SMILES:   S(CC(=O)Nc1ccc(S(=O)(=O)N)cc1)c1[nH]c(Cc2ccccc2)c(n1)C
InChI:   InChI=1/C19H20N4O3S2/c1-13-17(11-14-5-3-2-4-6-14)23-19(21-13)27-12-18(24)22-15-7-9-16(10-8-15)28(20,25)26/h2-10H,11-12H2,1H3,(H,21,23)(H,22,24)(H2,20,25,26)

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Potential Energy
Epot(MMFF94)=57.8809 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.526 g/mol  logS: -6.10452  SlogP: 2.68709  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0348159  Sterimol/B1: 2.37653  Sterimol/B2: 3.63802  Sterimol/B3: 4.31428
  Sterimol/B4: 7.54825  Sterimol/L: 21.2752 
 
 Surface and Volume Properties
  Accessible surface: 686.253  Positive charged surface: 391.073  Negative charged surface: 295.18  Volume: 367.25
  Hydrophobic surface: 436.868  Hydrophilic surface: 249.385
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00428430
ASINEX-ZINC04999558