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PUBCHEM-ZINC06891494

 MMsINC code: MMs03892368
Type: Neutral
Formula: C15H24N4O2S
SMILES:   s1cc(nc1NC(=O)CN(C(=O)NCC)C1CCCCC1)C
InChI:   InChI=1/C15H24N4O2S/c1-3-16-15(21)19(12-7-5-4-6-8-12)9-13(20)18-14-17-11(2)10-22-14/h10,12H,3-9H2,1-2H3,(H,16,21)(H,17,18,20)

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Potential Energy
Epot(MMFF94)=31.3295 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.449 g/mol  logS: -3.07788  SlogP: 2.75422  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0958902  Sterimol/B1: 2.39204  Sterimol/B2: 3.32916  Sterimol/B3: 4.04806
  Sterimol/B4: 9.8656  Sterimol/L: 15.8727 
 
 Surface and Volume Properties
  Accessible surface: 597.077  Positive charged surface: 423.972  Negative charged surface: 173.105  Volume: 313.625
  Hydrophobic surface: 489.576  Hydrophilic surface: 107.501
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.