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ASINEX-ZINC00203294

 MMsINC code: MMs00091616
Type: Neutral
Formula: C14H20N4O2S
SMILES:   S(CC(=O)N1CCC(CC1)C(=O)N)c1nc(cc(n1)C)C
InChI:   InChI=1/C14H20N4O2S/c1-9-7-10(2)17-14(16-9)21-8-12(19)18-5-3-11(4-6-18)13(15)20/h7,11H,3-6,8H2,1-2H3,(H2,15,20)

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Potential Energy
Epot(MMFF94)=25.4143 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.406 g/mol  logS: -3.19166  SlogP: 0.90944  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0356733  Sterimol/B1: 2.00613  Sterimol/B2: 2.90211  Sterimol/B3: 3.89972
  Sterimol/B4: 7.4228  Sterimol/L: 16.6055 
 
 Surface and Volume Properties
  Accessible surface: 557.06  Positive charged surface: 377.214  Negative charged surface: 179.847  Volume: 289.375
  Hydrophobic surface: 367.217  Hydrophilic surface: 189.843
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.