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CHEMBLOCK-ZINC01430106

 MMsINC code: MMs00523272
Type: Neutral
Formula: C10H10ClN3O2S
SMILES:   Clc1ccc(NS(=O)(=O)c2cn(nc2)C)cc1
InChI:   InChI=1/C10H10ClN3O2S/c1-14-7-10(6-12-14)17(15,16)13-9-4-2-8(11)3-5-9/h2-7,13H,1H3

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Potential Energy
Epot(MMFF94)=31.4215 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.728 g/mol  logS: -2.11106  SlogP: 2.2335  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.182896  Sterimol/B1: 3.09804  Sterimol/B2: 3.28297  Sterimol/B3: 4.02281
  Sterimol/B4: 7.40299  Sterimol/L: 11.5161 
 
 Surface and Volume Properties
  Accessible surface: 447.74  Positive charged surface: 241.813  Negative charged surface: 205.927  Volume: 224.625
  Hydrophobic surface: 334.547  Hydrophilic surface: 113.193
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.