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PUBCHEM-ZINC00279764

 MMsINC code: MMs02649774
Type: Neutral
Formula: C14H30N2
SMILES:   N(CCN(CC)CC)(C)C1CCCCCC1
InChI:   InChI=1/C14H30N2/c1-4-16(5-2)13-12-15(3)14-10-8-6-7-9-11-14/h14H,4-13H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.6036 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.408 g/mol  logS: -2.0271  SlogP: 2.9828  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105206  Sterimol/B1: 2.88482  Sterimol/B2: 3.69378  Sterimol/B3: 3.79451
  Sterimol/B4: 6.59603  Sterimol/L: 13.9382 
 
 Surface and Volume Properties
  Accessible surface: 501.679  Positive charged surface: 414.443  Negative charged surface: 87.2354  Volume: 267.875
  Hydrophobic surface: 454.279  Hydrophilic surface: 47.4
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs02649775
PUBCHEM-ZINC00279764