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NCID-ZINC01760926

 MMsINC code: MMs02367218
Type: Neutral
Formula: C11H21NO2
SMILES:   OC(=O)C1NCCCCCCCCC1
InChI:   InChI=1/C11H21NO2/c13-11(14)10-8-6-4-2-1-3-5-7-9-12-10/h10,12H,1-9H2,(H,13,14)/t10-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.6143 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -2.37012  SlogP: 2.1636  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.207163  Sterimol/B1: 2.82371  Sterimol/B2: 3.44191  Sterimol/B3: 4.29782
  Sterimol/B4: 5.34455  Sterimol/L: 10.9638 
 
 Surface and Volume Properties
  Accessible surface: 395.727  Positive charged surface: 287.054  Negative charged surface: 108.672  Volume: 213.5
  Hydrophobic surface: 290.647  Hydrophilic surface: 105.08
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.