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PUBCHEM-ZINC05513908

 MMsINC code: MMs03293657
Type: Neutral
Formula: C14H27N
SMILES:   N(CCCC)C1(C2CC(CC2)C1(C)C)C
InChI:   InChI=1/C14H27N/c1-5-6-9-15-14(4)12-8-7-11(10-12)13(14,2)3/h11-12,15H,5-10H2,1-4H3/t11-,12+,14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.5014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.377 g/mol  logS: -2.7033  SlogP: 3.5909  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.170555  Sterimol/B1: 3.86526  Sterimol/B2: 4.06567  Sterimol/B3: 4.26875
  Sterimol/B4: 4.55203  Sterimol/L: 13.3948 
 
 Surface and Volume Properties
  Accessible surface: 450.176  Positive charged surface: 340.411  Negative charged surface: 109.765  Volume: 246.125
  Hydrophobic surface: 381.292  Hydrophilic surface: 68.884
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs03293658
PUBCHEM-ZINC05513908