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PUBCHEM-ZINC05513689

 MMsINC code: MMs03293500
Type: Neutral
Formula: C8H19NO
SMILES:   ON(CCCC)CCCC
InChI:   InChI=1/C8H19NO/c1-3-5-7-9(10)8-6-4-2/h10H,3-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.9243 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 145.246 g/mol  logS: -1.24927  SlogP: 2.2778  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0471171  Sterimol/B1: 2.59162  Sterimol/B2: 3.04984  Sterimol/B3: 3.1458
  Sterimol/B4: 3.26067  Sterimol/L: 14.6311 
 
 Surface and Volume Properties
  Accessible surface: 399.205  Positive charged surface: 316.833  Negative charged surface: 82.3719  Volume: 173.625
  Hydrophobic surface: 315.181  Hydrophilic surface: 84.024
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.