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NCID-ZINC01607031

 MMsINC code: MMs02258872
Type: Neutral
Formula: C6H13NO2
SMILES:   O1CCN(CC1)COC
InChI:   InChI=1/C6H13NO2/c1-8-6-7-2-4-9-5-3-7/h2-6H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.1714 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 131.175 g/mol  logS: 0.37195  SlogP: -0.0775  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.238584  Sterimol/B1: 2.34172  Sterimol/B2: 3.49556  Sterimol/B3: 3.7234
  Sterimol/B4: 4.22548  Sterimol/L: 9.60252 
 
 Surface and Volume Properties
  Accessible surface: 321.092  Positive charged surface: 297.76  Negative charged surface: 23.3324  Volume: 136.5
  Hydrophobic surface: 287.68  Hydrophilic surface: 33.412
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.