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ASINEX-ZINC02505908

 MMsINC code: MMs00274054
Type: Neutral
Formula: C10H21NO
SMILES:   OCCCCNC1CCCCC1
InChI:   InChI=1/C10H21NO/c12-9-5-4-8-11-10-6-2-1-3-7-10/h10-12H,1-9H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.59717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.284 g/mol  logS: -1.02962  SlogP: 1.6812  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0582689  Sterimol/B1: 2.85985  Sterimol/B2: 3.18007  Sterimol/B3: 3.52403
  Sterimol/B4: 4.12369  Sterimol/L: 14.7696 
 
 Surface and Volume Properties
  Accessible surface: 426.047  Positive charged surface: 352.968  Negative charged surface: 73.0798  Volume: 194.875
  Hydrophobic surface: 357.092  Hydrophilic surface: 68.955
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00274055
ASINEX-ZINC02505908