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ENAMINE-ZINC03258655

 MMsINC code: MMs01335274
Type: Neutral
Formula: C15H15BrN2O3S
SMILES:   Brc1ccc(NC(=O)NS(=O)(=O)c2ccc(cc2)C)cc1C
InChI:   InChI=1/C15H15BrN2O3S/c1-10-3-6-13(7-4-10)22(20,21)18-15(19)17-12-5-8-14(16)11(2)9-12/h3-9H,1-2H3,(H2,17,18,19)

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Potential Energy
Epot(MMFF94)=13.5589 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.266 g/mol  logS: -5.19992  SlogP: 3.57634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130054  Sterimol/B1: 2.23536  Sterimol/B2: 3.61417  Sterimol/B3: 4.59176
  Sterimol/B4: 8.13951  Sterimol/L: 14.9997 
 
 Surface and Volume Properties
  Accessible surface: 568.949  Positive charged surface: 267.621  Negative charged surface: 301.328  Volume: 303.25
  Hydrophobic surface: 451.955  Hydrophilic surface: 116.994
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs01335275
ENAMINE-ZINC03258655