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PUBCHEM-ZINC05966373

 MMsINC code: MMs03466162
Type: Neutral
Formula: C10H21N
SMILES:   N1(CCCCCCCCC1)C
InChI:   InChI=1/C10H21N/c1-11-9-7-5-3-2-4-6-8-10-11/h2-10H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.3576 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.285 g/mol  logS: -1.99001  SlogP: 2.6625  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.277076  Sterimol/B1: 2.1009  Sterimol/B2: 4.12612  Sterimol/B3: 4.21457
  Sterimol/B4: 4.69579  Sterimol/L: 9.84085 
 
 Surface and Volume Properties
  Accessible surface: 351.915  Positive charged surface: 297.371  Negative charged surface: 54.5442  Volume: 186.125
  Hydrophobic surface: 344.456  Hydrophilic surface: 7.459
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs03466163
PUBCHEM-ZINC05966373