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ENAMINE-ZINC06550804

 MMsINC code: MMs01671340
Type: Neutral
Formula: C11H16N4O3S
SMILES:   S=C1N(CC)C(=O)C(=CNCC(=O)N)C(=O)N1CC
InChI:   InChI=1/C11H16N4O3S/c1-3-14-9(17)7(5-13-6-8(12)16)10(18)15(4-2)11(14)19/h5,13H,3-4,6H2,1-2H3,(H2,12,16)

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Potential Energy
Epot(MMFF94)=51.4975 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.34 g/mol  logS: -2.55117  SlogP: -1.0593  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0432329  Sterimol/B1: 2.14527  Sterimol/B2: 2.2142  Sterimol/B3: 3.50617
  Sterimol/B4: 8.2923  Sterimol/L: 14.5024 
 
 Surface and Volume Properties
  Accessible surface: 498.596  Positive charged surface: 322.214  Negative charged surface: 176.382  Volume: 252.5
  Hydrophobic surface: 235.134  Hydrophilic surface: 263.462
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.