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NCID-ZINC01733491

 MMsINC code: MMs02355939
Type: Neutral
Formula: C11H21NO2
SMILES:   O1CCN(CC1)C(=O)CCCCCC
InChI:   InChI=1/C11H21NO2/c1-2-3-4-5-6-11(13)12-7-9-14-10-8-12/h2-10H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.4322 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -2.21861  SlogP: 1.8156  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0413592  Sterimol/B1: 2.88756  Sterimol/B2: 3.30321  Sterimol/B3: 3.55048
  Sterimol/B4: 4.21204  Sterimol/L: 15.5977 
 
 Surface and Volume Properties
  Accessible surface: 454.084  Positive charged surface: 380.386  Negative charged surface: 73.6983  Volume: 218.5
  Hydrophobic surface: 386.569  Hydrophilic surface: 67.515
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.