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ENAMINE-ZINC05120495

 MMsINC code: MMs01589650
Type: Neutral
Formula: C10H14BrNO2S
SMILES:   Brc1cc(S(=O)(=O)NC(CC)C)ccc1
InChI:   InChI=1/C10H14BrNO2S/c1-3-8(2)12-15(13,14)10-6-4-5-9(11)7-10/h4-8,12H,3H2,1-2H3/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=0.698448 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.197 g/mol  logS: -3.16944  SlogP: 2.5259  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.283037  Sterimol/B1: 2.53159  Sterimol/B2: 4.52846  Sterimol/B3: 5.31109
  Sterimol/B4: 6.71208  Sterimol/L: 11.2428 
 
 Surface and Volume Properties
  Accessible surface: 440.006  Positive charged surface: 203.745  Negative charged surface: 236.261  Volume: 232.25
  Hydrophobic surface: 327.011  Hydrophilic surface: 112.995
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.