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ASINEX-ZINC01345952

 MMsINC code: MMs00241734
Type: Neutral
Formula: C14H26N4OS
SMILES:   S=C(NC)N1CCC(NC(=O)NC2CCCCC2)CC1
InChI:   InChI=1/C14H26N4OS/c1-15-14(20)18-9-7-12(8-10-18)17-13(19)16-11-5-3-2-4-6-11/h11-12H,2-10H2,1H3,(H,15,20)(H2,16,17,19)

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Potential Energy
Epot(MMFF94)=-3.68921 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.455 g/mol  logS: -2.98923  SlogP: 1.587  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0343532  Sterimol/B1: 2.47424  Sterimol/B2: 2.84035  Sterimol/B3: 3.81616
  Sterimol/B4: 5.79327  Sterimol/L: 17.9455 
 
 Surface and Volume Properties
  Accessible surface: 565.109  Positive charged surface: 444.303  Negative charged surface: 120.806  Volume: 297.25
  Hydrophobic surface: 435.516  Hydrophilic surface: 129.593
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  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.