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NCID-ZINC01662149

 MMsINC code: MMs02298995
Type: Neutral
Formula: C10H22N2
SMILES:   N(CCCN1CCCCC1)(C)C
InChI:   InChI=1/C10H22N2/c1-11(2)7-6-10-12-8-4-3-5-9-12/h3-10H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.8934 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.3 g/mol  logS: -0.34224  SlogP: 1.424  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.091792  Sterimol/B1: 2.04378  Sterimol/B2: 2.98992  Sterimol/B3: 4.37554
  Sterimol/B4: 4.53768  Sterimol/L: 13.4859 
 
 Surface and Volume Properties
  Accessible surface: 418.12  Positive charged surface: 388.021  Negative charged surface: 30.0993  Volume: 203.625
  Hydrophobic surface: 413.913  Hydrophilic surface: 4.207
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02298996
NCID-ZINC01662149