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CHEMBLOCK-ZINC06017556

 MMsINC code: MMs00581141
Type: Neutral
Formula: C14H15ClN2O3S
SMILES:   Clc1ccc(S(=O)(=O)NCc2ccncc2)cc1OCC
InChI:   InChI=1/C14H15ClN2O3S/c1-2-20-14-9-12(3-4-13(14)15)21(18,19)17-10-11-5-7-16-8-6-11/h3-9,17H,2,10H2,1H3

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Potential Energy
Epot(MMFF94)=31.3745 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.804 g/mol  logS: -2.8445  SlogP: 2.8786  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104606  Sterimol/B1: 2.33062  Sterimol/B2: 4.54684  Sterimol/B3: 4.62027
  Sterimol/B4: 7.16061  Sterimol/L: 15.844 
 
 Surface and Volume Properties
  Accessible surface: 554.747  Positive charged surface: 321.509  Negative charged surface: 233.238  Volume: 283.375
  Hydrophobic surface: 427.31  Hydrophilic surface: 127.437
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.