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PUBCHEM-ZINC05973000

 MMsINC code: MMs03468496
Type: Neutral
Formula: C10H21N
SMILES:   N1CCC(CC1)CCCCC
InChI:   InChI=1/C10H21N/c1-2-3-4-5-10-6-8-11-9-7-10/h10-11H,2-9H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.75119 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.285 g/mol  logS: -2.68773  SlogP: 2.5663  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0668655  Sterimol/B1: 2.75952  Sterimol/B2: 3.07027  Sterimol/B3: 3.7289
  Sterimol/B4: 3.98761  Sterimol/L: 13.2886 
 
 Surface and Volume Properties
  Accessible surface: 397.938  Positive charged surface: 338.872  Negative charged surface: 59.066  Volume: 191.5
  Hydrophobic surface: 346.432  Hydrophilic surface: 51.506
 
 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


MMs03468497
PUBCHEM-ZINC05973000