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PUBCHEM-ZINC02494714

 MMsINC code: MMs02889534
Type: Neutral
Formula: C16H34N2
SMILES:   N(CCN(CC)CC)(CC)C1CCC(CC1)CC
InChI:   InChI=1/C16H34N2/c1-5-15-9-11-16(12-10-15)18(8-4)14-13-17(6-2)7-3/h15-16H,5-14H2,1-4H3/t15-,16+

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Potential Energy
Epot(MMFF94)=57.6266 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.462 g/mol  logS: -2.86953  SlogP: 3.6189  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165952  Sterimol/B1: 2.6995  Sterimol/B2: 3.14235  Sterimol/B3: 5.27231
  Sterimol/B4: 6.58377  Sterimol/L: 14.3081 
 
 Surface and Volume Properties
  Accessible surface: 546.824  Positive charged surface: 429.48  Negative charged surface: 117.344  Volume: 304
  Hydrophobic surface: 457.217  Hydrophilic surface: 89.607
 
 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


MMs02889535
PUBCHEM-ZINC02494714