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PUBCHEM-ZINC05113492

 MMsINC code: MMs03201745
Type: Neutral
Formula: C6H15NO2
SMILES:   OCCCNCCCO
InChI:   InChI=1/C6H15NO2/c8-5-1-3-7-4-2-6-9/h7-9H,1-6H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-1.20241 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 133.191 g/mol  logS: 0.64406  SlogP: -0.6592  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0415408  Sterimol/B1: 2.23631  Sterimol/B2: 2.45649  Sterimol/B3: 2.58727
  Sterimol/B4: 3.12715  Sterimol/L: 14.019 
 
 Surface and Volume Properties
  Accessible surface: 365.083  Positive charged surface: 307.11  Negative charged surface: 57.9728  Volume: 149
  Hydrophobic surface: 238.274  Hydrophilic surface: 126.809
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03201746
PUBCHEM-ZINC05113492