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ENAMINE-ZINC02657923

 MMsINC code: MMs01280231
Type: Neutral
Formula: C15H20N4OS2
SMILES:   s1cccc1-c1nnc(SC(=O)NC2CCCCC2)n1CC
InChI:   InChI=1/C15H20N4OS2/c1-2-19-13(12-9-6-10-21-12)17-18-14(19)22-15(20)16-11-7-4-3-5-8-11/h6,9-11H,2-5,7-8H2,1H3,(H,16,20)

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Potential Energy
Epot(MMFF94)=29.8246 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.484 g/mol  logS: -5.83562  SlogP: 4.4273  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0279659  Sterimol/B1: 2.38376  Sterimol/B2: 3.02222  Sterimol/B3: 3.60712
  Sterimol/B4: 7.18415  Sterimol/L: 18.6901 
 
 Surface and Volume Properties
  Accessible surface: 580.384  Positive charged surface: 362.122  Negative charged surface: 218.262  Volume: 311.5
  Hydrophobic surface: 480.482  Hydrophilic surface: 99.902
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.