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ASINEX-ZINC02062058

 MMsINC code: MMs00262116
Type: Neutral
Formula: C15H20N4O2S2
SMILES:   s1ccnc1NC(=O)CCCCCCCC(=O)Nc1sccn1
InChI:   InChI=1/C15H20N4O2S2/c20-12(18-14-16-8-10-22-14)6-4-2-1-3-5-7-13(21)19-15-17-9-11-23-15/h8-11H,1-7H2,(H,16,18,20)(H,17,19,21)

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Potential Energy
Epot(MMFF94)=31.7809 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.483 g/mol  logS: -4.23918  SlogP: 3.9075  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0074848  Sterimol/B1: 2.37471  Sterimol/B2: 2.37662  Sterimol/B3: 2.55902
  Sterimol/B4: 5.07544  Sterimol/L: 24.1369 
 
 Surface and Volume Properties
  Accessible surface: 647.83  Positive charged surface: 428.823  Negative charged surface: 219.007  Volume: 322.5
  Hydrophobic surface: 506.885  Hydrophilic surface: 140.945
 
 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.