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OAKWOOD-ZINC04298669

 MMsINC code: MMs02552345
Type: Neutral
Formula: C10H20N2O
SMILES:   O=C(NC(C)(C)C)C1CCNCC1
InChI:   InChI=1/C10H20N2O/c1-10(2,3)12-9(13)8-4-6-11-7-5-8/h8,11H,4-7H2,1-3H3,(H,12,13)

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Potential Energy
Epot(MMFF94)=19.0149 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.283 g/mol  logS: -0.82054  SlogP: 0.9007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121087  Sterimol/B1: 1.969  Sterimol/B2: 3.6613  Sterimol/B3: 3.90604
  Sterimol/B4: 4.72893  Sterimol/L: 11.973 
 
 Surface and Volume Properties
  Accessible surface: 405.391  Positive charged surface: 321.067  Negative charged surface: 84.3245  Volume: 199.75
  Hydrophobic surface: 303.353  Hydrophilic surface: 102.038
 
 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


MMs02552346
OAKWOOD-ZINC04298669