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PUBCHEM-ZINC05498108

 MMsINC code: MMs03287332
Type: Neutral
Formula: C11H15ClN4O4S
SMILES:   Clc1ccc(nc1)NC(=O)NC(=O)N(S(=O)(=O)C)C(C)C
InChI:   InChI=1/C11H15ClN4O4S/c1-7(2)16(21(3,19)20)11(18)15-10(17)14-9-5-4-8(12)6-13-9/h4-7H,1-3H3,(H2,13,14,15,17,18)

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Potential Energy
Epot(MMFF94)=-3.59566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.784 g/mol  logS: -2.21565  SlogP: 1.6465  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0594622  Sterimol/B1: 2.24659  Sterimol/B2: 2.50336  Sterimol/B3: 4.60146
  Sterimol/B4: 7.09228  Sterimol/L: 15.5839 
 
 Surface and Volume Properties
  Accessible surface: 530.68  Positive charged surface: 282.45  Negative charged surface: 248.229  Volume: 273.375
  Hydrophobic surface: 355.189  Hydrophilic surface: 175.491
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.