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PUBCHEM-ZINC02563298

 MMsINC code: MMs02901599
Type: Neutral
Formula: C11H25N
SMILES:   NC(CCCCC)CCCCC
InChI:   InChI=1/C11H25N/c1-3-5-7-9-11(12)10-8-6-4-2/h11H,3-10,12H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-1.79127 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.328 g/mol  logS: -3.43118  SlogP: 3.4743  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0366853  Sterimol/B1: 2.46654  Sterimol/B2: 2.88767  Sterimol/B3: 2.94006
  Sterimol/B4: 4.22393  Sterimol/L: 17.2254 
 
 Surface and Volume Properties
  Accessible surface: 464.069  Positive charged surface: 378.342  Negative charged surface: 85.7265  Volume: 217
  Hydrophobic surface: 373.323  Hydrophilic surface: 90.746
 
 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


MMs02901600
PUBCHEM-ZINC02563298