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CHEMBLOCK-ZINC04359283

 MMsINC code: MMs00549258
Type: Neutral
Formula: C11H15ClN2O3S
SMILES:   Clc1ccc(S(=O)(=O)NCC(=O)NCCC)cc1
InChI:   InChI=1/C11H15ClN2O3S/c1-2-7-13-11(15)8-14-18(16,17)10-5-3-9(12)4-6-10/h3-6,14H,2,7-8H2,1H3,(H,13,15)

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Potential Energy
Epot(MMFF94)=12.3374 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.771 g/mol  logS: -2.6587  SlogP: 1.1445  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0633959  Sterimol/B1: 3.26463  Sterimol/B2: 4.33341  Sterimol/B3: 4.4469
  Sterimol/B4: 5.49355  Sterimol/L: 16.0482 
 
 Surface and Volume Properties
  Accessible surface: 515.566  Positive charged surface: 273.869  Negative charged surface: 241.697  Volume: 249.375
  Hydrophobic surface: 356.567  Hydrophilic surface: 158.999
 
 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: no related molecules available.