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PUBCHEM-ZINC05841363

 MMsINC code: MMs03410928
Type: Neutral
Formula: C10H23N
SMILES:   N(C(CCC)C)C(CCC)C
InChI:   InChI=1/C10H23N/c1-5-7-9(3)11-10(4)8-6-2/h9-11H,5-8H2,1-4H3/t9-,10-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.68377 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.301 g/mol  logS: -2.1003  SlogP: 2.9532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167614  Sterimol/B1: 2.44596  Sterimol/B2: 3.72545  Sterimol/B3: 4.39736
  Sterimol/B4: 4.55228  Sterimol/L: 12.7769 
 
 Surface and Volume Properties
  Accessible surface: 416.687  Positive charged surface: 319.067  Negative charged surface: 97.6197  Volume: 201.875
  Hydrophobic surface: 327.265  Hydrophilic surface: 89.422
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03410929
PUBCHEM-ZINC05841363