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PUBCHEM-ZINC01847760

 MMsINC code: MMs02824660
Type: Neutral
Formula: C10H21N
SMILES:   N1(CCCC1)CCCCCC
InChI:   InChI=1/C10H21N/c1-2-3-4-5-8-11-9-6-7-10-11/h2-10H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.285 g/mol  logS: -2.11545  SlogP: 2.6625  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0477584  Sterimol/B1: 2.75197  Sterimol/B2: 2.88789  Sterimol/B3: 3.04127
  Sterimol/B4: 3.85302  Sterimol/L: 14.4448 
 
 Surface and Volume Properties
  Accessible surface: 415.097  Positive charged surface: 350.765  Negative charged surface: 64.3318  Volume: 191.875
  Hydrophobic surface: 388.342  Hydrophilic surface: 26.755
 
 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


MMs02824661
PUBCHEM-ZINC01847760