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ENAMINE-ZINC05468544

 MMsINC code: MMs01616707
Type: Neutral
Formula: C12H23NO
SMILES:   O=C(NCCC)CCC1CCCCC1
InChI:   InChI=1/C12H23NO/c1-2-10-13-12(14)9-8-11-6-4-3-5-7-11/h11H,2-10H2,1H3,(H,13,14)

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Potential Energy
Epot(MMFF94)=6.87239 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.322 g/mol  logS: -3.4905  SlogP: 2.8731  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0372246  Sterimol/B1: 2.83786  Sterimol/B2: 3.12351  Sterimol/B3: 3.78766
  Sterimol/B4: 3.91944  Sterimol/L: 16.1526 
 
 Surface and Volume Properties
  Accessible surface: 461.495  Positive charged surface: 368.995  Negative charged surface: 92.4998  Volume: 225.125
  Hydrophobic surface: 391.604  Hydrophilic surface: 69.891
 
 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.