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PUBCHEM-ZINC05284463

 MMsINC code: MMs03232464
Type: Neutral
Formula: C12H23NO
SMILES:   O=C(NC1CCCCCCC1)C(C)C
InChI:   InChI=1/C12H23NO/c1-10(2)12(14)13-11-8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3,(H,13,14)

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Potential Energy
Epot(MMFF94)=71.3315 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.322 g/mol  logS: -2.67559  SlogP: 2.8715  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154742  Sterimol/B1: 2.76174  Sterimol/B2: 3.27492  Sterimol/B3: 4.29017
  Sterimol/B4: 5.29547  Sterimol/L: 12.3312 
 
 Surface and Volume Properties
  Accessible surface: 431.391  Positive charged surface: 320.855  Negative charged surface: 110.537  Volume: 220.375
  Hydrophobic surface: 364.655  Hydrophilic surface: 66.736
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: no related molecules available.