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PUBCHEM-ZINC05972948

 MMsINC code: MMs03468466
Type: Ionized
Formula: C14H30N+
SMILES:   [NH2+]1CCC(CC1)C(CCCC)CCCC
InChI:   InChI=1/C14H29N/c1-3-5-7-13(8-6-4-2)14-9-11-15-12-10-14/h13-15H,3-12H2,1-2H3/p+1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.5917 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.401 g/mol  logS: -4.72422  SlogP: 2.9564  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102983  Sterimol/B1: 3.01009  Sterimol/B2: 3.61778  Sterimol/B3: 5.1771
  Sterimol/B4: 7.4362  Sterimol/L: 13.2602 
 
 Surface and Volume Properties
  Accessible surface: 512.25  Positive charged surface: 443.932  Negative charged surface: 68.3181  Volume: 263.75
  Hydrophobic surface: 411.235  Hydrophilic surface: 101.015
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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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Parent related molecule:


MMs03468465
PUBCHEM-ZINC05972948