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ASINEX-ZINC04910456

 MMsINC code: MMs00403532
Type: Neutral
Formula: C10H20N2O
SMILES:   O=C(NC1CCNCC1)C(C)(C)C
InChI:   InChI=1/C10H20N2O/c1-10(2,3)9(13)12-8-4-6-11-7-5-8/h8,11H,4-7H2,1-3H3,(H,12,13)

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Potential Energy
Epot(MMFF94)=11.4558 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.283 g/mol  logS: -0.6951  SlogP: 0.9007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124642  Sterimol/B1: 2.51743  Sterimol/B2: 2.94324  Sterimol/B3: 4.4515
  Sterimol/B4: 4.4983  Sterimol/L: 12.1057 
 
 Surface and Volume Properties
  Accessible surface: 411.753  Positive charged surface: 320.208  Negative charged surface: 91.5444  Volume: 202.125
  Hydrophobic surface: 306.446  Hydrophilic surface: 105.307
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00403533
ASINEX-ZINC04910456