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PUBCHEM-ZINC02389306

 MMsINC code: MMs02886891
Type: Neutral
Formula: C10H23N
SMILES:   N(C(CC)(C)C)C(CC)(C)C
InChI:   InChI=1/C10H23N/c1-7-9(3,4)11-10(5,6)8-2/h11H,7-8H2,1-6H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=136.889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.301 g/mol  logS: -1.72428  SlogP: 2.9532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.186007  Sterimol/B1: 3.19389  Sterimol/B2: 3.42164  Sterimol/B3: 3.47446
  Sterimol/B4: 3.70575  Sterimol/L: 12.1379 
 
 Surface and Volume Properties
  Accessible surface: 364.253  Positive charged surface: 249.608  Negative charged surface: 114.646  Volume: 190.125
  Hydrophobic surface: 251.469  Hydrophilic surface: 112.784
 
 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


MMs02886892
PUBCHEM-ZINC02389306