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ASINEX-ZINC02024793

 MMsINC code: MMs00260672
Type: Neutral
Formula: C15H25N3O2
SMILES:   O(CC(=O)NCCCN(C)C)c1ccc(nc1CC)C
InChI:   InChI=1/C15H25N3O2/c1-5-13-14(8-7-12(2)17-13)20-11-15(19)16-9-6-10-18(3)4/h7-8H,5-6,9-11H2,1-4H3,(H,16,19)

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Potential Energy
Epot(MMFF94)=58.8587 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.384 g/mol  logS: -1.2779  SlogP: 1.39909  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0247119  Sterimol/B1: 2.40239  Sterimol/B2: 2.56615  Sterimol/B3: 3.97995
  Sterimol/B4: 7.38626  Sterimol/L: 19.3373 
 
 Surface and Volume Properties
  Accessible surface: 605.291  Positive charged surface: 478.959  Negative charged surface: 126.332  Volume: 297.5
  Hydrophobic surface: 519.219  Hydrophilic surface: 86.072
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00260673
ASINEX-ZINC02024793