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PUBCHEM-ZINC03149462

 MMsINC code: MMs03001550
Type: Neutral
Formula: C13H14ClN5O4S
SMILES:   Clc1ccccc1S(=O)(=O)NC(=O)N(C)c1nc(nc(OC)n1)C
InChI:   InChI=1/C13H14ClN5O4S/c1-8-15-11(17-12(16-8)23-3)19(2)13(20)18-24(21,22)10-7-5-4-6-9(10)14/h4-7H,1-3H3,(H,18,20)

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Potential Energy
Epot(MMFF94)=-46.9921 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.805 g/mol  logS: -4.41491  SlogP: 1.37672  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116771  Sterimol/B1: 3.25735  Sterimol/B2: 3.8395  Sterimol/B3: 5.6386
  Sterimol/B4: 6.98514  Sterimol/L: 13.683 
 
 Surface and Volume Properties
  Accessible surface: 583.952  Positive charged surface: 357.702  Negative charged surface: 226.251  Volume: 299.625
  Hydrophobic surface: 437.214  Hydrophilic surface: 146.738
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.