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ENAMINE-ZINC03326663

 MMsINC code: MMs01373693
Type: Neutral
Formula: C16H24N4O2S
SMILES:   S(CC(=O)NC(=O)NC1CCCCC1)c1nc(C)c(C)c(n1)C
InChI:   InChI=1/C16H24N4O2S/c1-10-11(2)17-16(18-12(10)3)23-9-14(21)20-15(22)19-13-7-5-4-6-8-13/h13H,4-9H2,1-3H3,(H2,19,20,21,22)

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Potential Energy
Epot(MMFF94)=23.5303 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.46 g/mol  logS: -4.57037  SlogP: 2.65246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0201716  Sterimol/B1: 3.20853  Sterimol/B2: 3.47331  Sterimol/B3: 3.48301
  Sterimol/B4: 5.24478  Sterimol/L: 20.0139 
 
 Surface and Volume Properties
  Accessible surface: 623.912  Positive charged surface: 427.442  Negative charged surface: 196.47  Volume: 322.875
  Hydrophobic surface: 464.695  Hydrophilic surface: 159.217
 
 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.