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PUBCHEM-ZINC01090566

 MMsINC code: MMs02767667
Type: Neutral
Formula: C11H21NO
SMILES:   O=C(N)C(CCC)C1CCCCC1
InChI:   InChI=1/C11H21NO/c1-2-6-10(11(12)13)9-7-4-3-5-8-9/h9-10H,2-8H2,1H3,(H2,12,13)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=17.2947 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.295 g/mol  logS: -3.7845  SlogP: 2.4683  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.20731  Sterimol/B1: 2.35186  Sterimol/B2: 3.47291  Sterimol/B3: 4.07673
  Sterimol/B4: 6.93924  Sterimol/L: 11.8556 
 
 Surface and Volume Properties
  Accessible surface: 412.005  Positive charged surface: 315.792  Negative charged surface: 96.2126  Volume: 203.375
  Hydrophobic surface: 301.777  Hydrophilic surface: 110.228
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.