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ASINEX-ZINC06677793

 MMsINC code: MMs00442178
Type: Neutral
Formula: C10H22N2O
SMILES:   O1C(CN(CC1C)CCCCN)C
InChI:   InChI=1/C10H22N2O/c1-9-7-12(6-4-3-5-11)8-10(2)13-9/h9-10H,3-8,11H2,1-2H3/t9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=37.0893 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.299 g/mol  logS: -0.52923  SlogP: 0.8345  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0717803  Sterimol/B1: 2.25752  Sterimol/B2: 2.7224  Sterimol/B3: 3.60311
  Sterimol/B4: 5.8762  Sterimol/L: 14.2982 
 
 Surface and Volume Properties
  Accessible surface: 432.963  Positive charged surface: 364.431  Negative charged surface: 68.5321  Volume: 208.875
  Hydrophobic surface: 312.839  Hydrophilic surface: 120.124
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00442179
ASINEX-ZINC06677793