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CHEMBRIDGE-ZINC00409521

 MMsINC code: MMs00612344
Type: Neutral
Formula: C13H23NO
SMILES:   O=C(NC1CCCC1)CC1CCCCC1
InChI:   InChI=1/C13H23NO/c15-13(14-12-8-4-5-9-12)10-11-6-2-1-3-7-11/h11-12H,1-10H2,(H,14,15)

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Potential Energy
Epot(MMFF94)=19.1288 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.333 g/mol  logS: -3.40222  SlogP: 3.0156  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0746634  Sterimol/B1: 3.20317  Sterimol/B2: 3.36987  Sterimol/B3: 3.57749
  Sterimol/B4: 4.3046  Sterimol/L: 14.7175 
 
 Surface and Volume Properties
  Accessible surface: 462.855  Positive charged surface: 370.803  Negative charged surface: 92.0521  Volume: 231.25
  Hydrophobic surface: 431.431  Hydrophilic surface: 31.424
 
 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.