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ASINEX-ZINC01193988

 MMsINC code: MMs00230653
Type: Neutral
Formula: C12H24N4O4
SMILES:   O1CCN(CCOCCN(CC1)CC(=O)N)CC(=O)N
InChI:   InChI=1/C12H24N4O4/c13-11(17)9-15-1-5-19-7-3-16(10-12(14)18)4-8-20-6-2-15/h1-10H2,(H2,13,17)(H2,14,18)

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Potential Energy
Epot(MMFF94)=144.9 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.348 g/mol  logS: -0.37756  SlogP: -2.3922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126398  Sterimol/B1: 2.91166  Sterimol/B2: 3.12211  Sterimol/B3: 3.67695
  Sterimol/B4: 5.86094  Sterimol/L: 14.4032 
 
 Surface and Volume Properties
  Accessible surface: 492.186  Positive charged surface: 426.632  Negative charged surface: 65.5547  Volume: 274.625
  Hydrophobic surface: 295.077  Hydrophilic surface: 197.109
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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


MMs00230654
ASINEX-ZINC01193988