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PUBCHEM-ZINC05819722

 MMsINC code: MMs03398829
Type: Neutral
Formula: C10H23N
SMILES:   N(CC(CCC)CCC)CC
InChI:   InChI=1/C10H23N/c1-4-7-10(8-5-2)9-11-6-3/h10-11H,4-9H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.0198 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.301 g/mol  logS: -2.47632  SlogP: 2.8123  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0823459  Sterimol/B1: 2.90999  Sterimol/B2: 3.00519  Sterimol/B3: 3.20848
  Sterimol/B4: 6.00069  Sterimol/L: 13.3069 
 
 Surface and Volume Properties
  Accessible surface: 426.227  Positive charged surface: 340.666  Negative charged surface: 85.561  Volume: 200.625
  Hydrophobic surface: 345.317  Hydrophilic surface: 80.91
 
 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


MMs03398830
PUBCHEM-ZINC05819722