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ASINEX-ZINC02511863

 MMsINC code: MMs00274217
Type: Neutral
Formula: C10H22N2O
SMILES:   OCCCNC1CCN(CC1)CC
InChI:   InChI=1/C10H22N2O/c1-2-12-7-4-10(5-8-12)11-6-3-9-13/h10-11,13H,2-9H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.32035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.299 g/mol  logS: -0.13419  SlogP: 0.4427  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0553517  Sterimol/B1: 2.37783  Sterimol/B2: 2.59402  Sterimol/B3: 3.23573
  Sterimol/B4: 5.27181  Sterimol/L: 15.4969 
 
 Surface and Volume Properties
  Accessible surface: 441.277  Positive charged surface: 373.449  Negative charged surface: 67.8281  Volume: 208.625
  Hydrophobic surface: 348.773  Hydrophilic surface: 92.504
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00274218
ASINEX-ZINC02511863