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PUBCHEM-ZINC05527985

 MMsINC code: MMs03298534
Type: Neutral
Formula: C14H25NO
SMILES:   O=C(N1CCCCC1C)CCC1CCCC1
InChI:   InChI=1/C14H25NO/c1-12-6-4-5-11-15(12)14(16)10-9-13-7-2-3-8-13/h12-13H,2-11H2,1H3/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=48.1307 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.36 g/mol  logS: -3.42167  SlogP: 3.3578  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0642613  Sterimol/B1: 2.06287  Sterimol/B2: 2.73991  Sterimol/B3: 3.87593
  Sterimol/B4: 6.72227  Sterimol/L: 14.3589 
 
 Surface and Volume Properties
  Accessible surface: 479.865  Positive charged surface: 394.41  Negative charged surface: 85.4547  Volume: 248.125
  Hydrophobic surface: 446.463  Hydrophilic surface: 33.402
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.