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ASINEX-ZINC04016844

 MMsINC code: MMs00296667
Type: Neutral
Formula: C14H30N2O
SMILES:   O=C(NC(CCCCC)(C)C)CN(CC)CC
InChI:   InChI=1/C14H30N2O/c1-6-9-10-11-14(4,5)15-13(17)12-16(7-2)8-3/h6-12H2,1-5H3,(H,15,17)

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Potential Energy
Epot(MMFF94)=57.3962 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.407 g/mol  logS: -3.04448  SlogP: 2.8033  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0502546  Sterimol/B1: 2.82925  Sterimol/B2: 3.76223  Sterimol/B3: 3.96898
  Sterimol/B4: 4.98286  Sterimol/L: 17.0975 
 
 Surface and Volume Properties
  Accessible surface: 550.617  Positive charged surface: 431.309  Negative charged surface: 119.307  Volume: 284.875
  Hydrophobic surface: 427.357  Hydrophilic surface: 123.26
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00296668
ASINEX-ZINC04016844