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ALFAAESAR-ZINC01693365

 MMsINC code: MMs00021911
Type: Neutral
Formula: C10H23N
SMILES:   N(CCC(C)C)CCC(C)C
InChI:   InChI=1/C10H23N/c1-9(2)5-7-11-8-6-10(3)4/h9-11H,5-8H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.22207 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.301 g/mol  logS: -2.47632  SlogP: 2.6682  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0437256  Sterimol/B1: 2.03628  Sterimol/B2: 2.60387  Sterimol/B3: 3.10895
  Sterimol/B4: 4.72278  Sterimol/L: 14.6526 
 
 Surface and Volume Properties
  Accessible surface: 434.526  Positive charged surface: 339.562  Negative charged surface: 94.9644  Volume: 202.875
  Hydrophobic surface: 335.27  Hydrophilic surface: 99.256
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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


MMs00021912
ALFAAESAR-ZINC01693365