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ASINEX-ZINC04992757

 MMsINC code: MMs00424933
Type: Neutral
Formula: C9H20N2
SMILES:   N(C)C1CCN(CC1)C(C)C
InChI:   InChI=1/C9H20N2/c1-8(2)11-6-4-9(10-3)5-7-11/h8-10H,4-7H2,1-3H3

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Potential Energy
Epot(MMFF94)=13.7511 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.273 g/mol  logS: -0.46217  SlogP: 1.0786  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0904088  Sterimol/B1: 2.31017  Sterimol/B2: 2.75653  Sterimol/B3: 3.08419
  Sterimol/B4: 5.34053  Sterimol/L: 12.4051 
 
 Surface and Volume Properties
  Accessible surface: 382.669  Positive charged surface: 323.707  Negative charged surface: 58.9626  Volume: 182.625
  Hydrophobic surface: 320.524  Hydrophilic surface: 62.145
 
 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


MMs00424934
ASINEX-ZINC04992757