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NCID-ZINC01593272

 MMsINC code: MMs02247607
Type: Neutral
Formula: C11H21NO2
SMILES:   O(C(=O)C(N1CCCCCC1)C)CC
InChI:   InChI=1/C11H21NO2/c1-3-14-11(13)10(2)12-8-6-4-5-7-9-12/h10H,3-9H2,1-2H3/t10-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.3363 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -1.50694  SlogP: 1.814  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140168  Sterimol/B1: 3.07427  Sterimol/B2: 3.65571  Sterimol/B3: 3.66023
  Sterimol/B4: 4.62811  Sterimol/L: 13.4057 
 
 Surface and Volume Properties
  Accessible surface: 433.702  Positive charged surface: 343.585  Negative charged surface: 90.1175  Volume: 214.5
  Hydrophobic surface: 373.489  Hydrophilic surface: 60.213
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs02247608
NCID-ZINC01593272