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CHEMBLOCK-ZINC01076029

 MMsINC code: MMs00514313
Type: Neutral
Formula: C10H19NO
SMILES:   O=C1CCN(C(C)C)C(C)C1C
InChI:   InChI=1/C10H19NO/c1-7(2)11-6-5-10(12)8(3)9(11)4/h7-9H,5-6H2,1-4H3/t8-,9+/m0/s1

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Potential Energy
Epot(MMFF94)=30.3885 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -0.91586  SlogP: 1.6942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.304211  Sterimol/B1: 2.70771  Sterimol/B2: 3.70765  Sterimol/B3: 4.39022
  Sterimol/B4: 5.15776  Sterimol/L: 9.94005 
 
 Surface and Volume Properties
  Accessible surface: 363.937  Positive charged surface: 249.135  Negative charged surface: 114.802  Volume: 188.125
  Hydrophobic surface: 254.816  Hydrophilic surface: 109.121
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs00514314
CHEMBLOCK-ZINC01076029