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NCID-ZINC01726605

 MMsINC code: MMs02350321
Type: Neutral
Formula: C18H18N2O6S2
SMILES:   S(=O)(=O)(N1CC(=O)N(S(=O)(=O)c2ccc(cc2)C)CC1=O)c1ccc(cc1)C
InChI:   InChI=1/C18H18N2O6S2/c1-13-3-7-15(8-4-13)27(23,24)19-11-18(22)20(12-17(19)21)28(25,26)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3

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Potential Energy
Epot(MMFF94)=62.9107 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.482 g/mol  logS: -4.91428  SlogP: 1.05184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0765075  Sterimol/B1: 3.59458  Sterimol/B2: 4.47778  Sterimol/B3: 4.57526
  Sterimol/B4: 4.93496  Sterimol/L: 19.3121 
 
 Surface and Volume Properties
  Accessible surface: 627.07  Positive charged surface: 314.994  Negative charged surface: 312.075  Volume: 352
  Hydrophobic surface: 454.929  Hydrophilic surface: 172.141
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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: no related molecules available.