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ENAMINE-ZINC03432402

 MMsINC code: MMs01438450
Type: Neutral
Formula: C11H14ClNO2S
SMILES:   Clc1ccccc1S(=O)(=O)NC1CCCC1
InChI:   InChI=1/C11H14ClNO2S/c12-10-7-3-4-8-11(10)16(14,15)13-9-5-1-2-6-9/h3-4,7-9,13H,1-2,5-6H2

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Potential Energy
Epot(MMFF94)=7.17731 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.757 g/mol  logS: -2.91307  SlogP: 2.5609  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.191241  Sterimol/B1: 2.28647  Sterimol/B2: 3.49946  Sterimol/B3: 4.5224
  Sterimol/B4: 5.99152  Sterimol/L: 12.2845 
 
 Surface and Volume Properties
  Accessible surface: 436.03  Positive charged surface: 239.619  Negative charged surface: 196.411  Volume: 226.5
  Hydrophobic surface: 368.727  Hydrophilic surface: 67.303
 
 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.