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PUBCHEM-ZINC02057773

 MMsINC code: MMs02867325
Type: Neutral
Formula: C18H15NO4S
SMILES:   S(O)(=O)(=O)c1ccc2c(cccc2)c1NC(=O)c1ccccc1C
InChI:   InChI=1/C18H15NO4S/c1-12-6-2-4-8-14(12)18(20)19-17-15-9-5-3-7-13(15)10-11-16(17)24(21,22)23/h2-11H,1H3,(H,19,20)(H,21,22,23)

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Potential Energy
Epot(MMFF94)=113.308 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.387 g/mol  logS: -5.75674  SlogP: 3.08152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0911221  Sterimol/B1: 2.18443  Sterimol/B2: 3.99416  Sterimol/B3: 5.0523
  Sterimol/B4: 8.04209  Sterimol/L: 14.2475 
 
 Surface and Volume Properties
  Accessible surface: 529.738  Positive charged surface: 256.752  Negative charged surface: 263.602  Volume: 298.25
  Hydrophobic surface: 413.686  Hydrophilic surface: 116.052
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02867326
PUBCHEM-ZINC02057773