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CHEMDIV-ZINC00470240

 MMsINC code: MMs00853785
Type: Neutral
Formula: C11H10BrNO2S2
SMILES:   Brc1sc(S(=O)(=O)Nc2cc(ccc2)C)cc1
InChI:   InChI=1/C11H10BrNO2S2/c1-8-3-2-4-9(7-8)13-17(14,15)11-6-5-10(12)16-11/h2-7,13H,1H3

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Potential Energy
Epot(MMFF94)=38.9533 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.242 g/mol  logS: -4.8873  SlogP: 3.61982  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.233872  Sterimol/B1: 2.55245  Sterimol/B2: 3.86366  Sterimol/B3: 5.2522
  Sterimol/B4: 6.0482  Sterimol/L: 11.442 
 
 Surface and Volume Properties
  Accessible surface: 480.398  Positive charged surface: 187.466  Negative charged surface: 292.933  Volume: 245.375
  Hydrophobic surface: 398.912  Hydrophilic surface: 81.486
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.