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IBS-ZINC01278139

 MMsINC code: MMs01765742
Type: Neutral
Formula: C14H13ClN4O5S
SMILES:   Clc1ccccc1S(=O)(=O)NC(=O)Nc1nc(cc(n1)C)C(OC)=O
InChI:   InChI=1/C14H13ClN4O5S/c1-8-7-10(12(20)24-2)17-13(16-8)18-14(21)19-25(22,23)11-6-4-3-5-9(11)15/h3-7H,1-2H3,(H2,16,17,18,19,21)

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Potential Energy
Epot(MMFF94)=-20.2436 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.8 g/mol  logS: -4.56207  SlogP: 1.73542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13332  Sterimol/B1: 2.71329  Sterimol/B2: 3.37858  Sterimol/B3: 5.47617
  Sterimol/B4: 8.36938  Sterimol/L: 13.9175 
 
 Surface and Volume Properties
  Accessible surface: 590.75  Positive charged surface: 337.233  Negative charged surface: 253.517  Volume: 305.25
  Hydrophobic surface: 402.248  Hydrophilic surface: 188.502
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.