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CHEMBLOCK-ZINC00093559

 MMsINC code: MMs00496788
Type: Neutral
Formula: C17H27NO2
SMILES:   o1cccc1C(=O)NC1CCCCCCCCCCC1
InChI:   InChI=1/C17H27NO2/c19-17(16-13-10-14-20-16)18-15-11-8-6-4-2-1-3-5-7-9-12-15/h10,13-15H,1-9,11-12H2,(H,18,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.383 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.408 g/mol  logS: -5.84504  SlogP: 4.6827  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.517618  Sterimol/B1: 3.23808  Sterimol/B2: 5.04565  Sterimol/B3: 5.04585
  Sterimol/B4: 6.34954  Sterimol/L: 11.8952 
 
 Surface and Volume Properties
  Accessible surface: 498.54  Positive charged surface: 335.037  Negative charged surface: 163.503  Volume: 295.625
  Hydrophobic surface: 469.154  Hydrophilic surface: 29.386
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.