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ENAMINE-ZINC03216970

 MMsINC code: MMs01310707
Type: Neutral
Formula: C11H12N4O4S2
SMILES:   s1c2c(nc1NC(=O)NC(=O)N(S(=O)(=O)C)C)cccc2
InChI:   InChI=1/C11H12N4O4S2/c1-15(21(2,18)19)11(17)14-9(16)13-10-12-7-5-3-4-6-8(7)20-10/h3-6H,1-2H3,(H2,12,13,14,16,17)

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Potential Energy
Epot(MMFF94)=-2.16419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.373 g/mol  logS: -3.06067  SlogP: 1.4292  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0217194  Sterimol/B1: 2.07927  Sterimol/B2: 3.19294  Sterimol/B3: 3.41959
  Sterimol/B4: 5.83597  Sterimol/L: 17.1973 
 
 Surface and Volume Properties
  Accessible surface: 521.466  Positive charged surface: 287.054  Negative charged surface: 234.412  Volume: 261.5
  Hydrophobic surface: 341.782  Hydrophilic surface: 179.684
 
 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.