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PUBCHEM-ZINC01232361

 MMsINC code: MMs02790823
Type: Neutral
Formula: C10H9ClN4O4S
SMILES:   Clc1ccc(nc1)NS(=O)(=O)C=1C(=O)NC(=O)NC=1C
InChI:   InChI=1/C10H9ClN4O4S/c1-5-8(9(16)14-10(17)13-5)20(18,19)15-7-3-2-6(11)4-12-7/h2-4H,1H3,(H,12,15)(H2,13,14,16,17)

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Potential Energy
Epot(MMFF94)=-2.58019 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.725 g/mol  logS: -2.20449  SlogP: 0.5476  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148465  Sterimol/B1: 2.40655  Sterimol/B2: 2.49669  Sterimol/B3: 4.93424
  Sterimol/B4: 6.34369  Sterimol/L: 12.1675 
 
 Surface and Volume Properties
  Accessible surface: 460.107  Positive charged surface: 215.557  Negative charged surface: 244.55  Volume: 236.5
  Hydrophobic surface: 252.794  Hydrophilic surface: 207.313
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.