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PUBCHEM-ZINC04538054

 MMsINC code: MMs03131255
Type: Neutral
Formula: C15H30N2
SMILES:   NC1CCC(CC1C)CC1CC(C)C(N)CC1
InChI:   InChI=1/C15H30N2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h10-15H,3-9,16-17H2,1-2H3/t10-,11-,12-,13+,14+,15+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.1973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.419 g/mol  logS: -2.58342  SlogP: 2.9035  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127967  Sterimol/B1: 2.86403  Sterimol/B2: 2.96716  Sterimol/B3: 4.92363
  Sterimol/B4: 5.89989  Sterimol/L: 13.673 
 
 Surface and Volume Properties
  Accessible surface: 490.983  Positive charged surface: 400.257  Negative charged surface: 90.7259  Volume: 271.875
  Hydrophobic surface: 354.777  Hydrophilic surface: 136.206
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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


MMs03131256
PUBCHEM-ZINC04538054