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ENAMINE-ZINC03294893

 MMsINC code: MMs01355313
Type: Neutral
Formula: C15H21N5OS2
SMILES:   s1cccc1-c1nnc(SCC(=O)N(C)C2CCCCC2)n1N
InChI:   InChI=1/C15H21N5OS2/c1-19(11-6-3-2-4-7-11)13(21)10-23-15-18-17-14(20(15)16)12-8-5-9-22-12/h5,8-9,11H,2-4,6-7,10,16H2,1H3

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Potential Energy
Epot(MMFF94)=59.6484 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.499 g/mol  logS: -5.43238  SlogP: 2.6036  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0293405  Sterimol/B1: 2.05446  Sterimol/B2: 3.34739  Sterimol/B3: 3.86392
  Sterimol/B4: 5.89806  Sterimol/L: 20.4507 
 
 Surface and Volume Properties
  Accessible surface: 598.573  Positive charged surface: 370.784  Negative charged surface: 227.79  Volume: 322.625
  Hydrophobic surface: 445.574  Hydrophilic surface: 152.999
 
 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.