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CHEMBRIDGE-ZINC01719690

 MMsINC code: MMs00695092
Type: Neutral
Formula: C17H37N3
SMILES:   N(CC1CCCCC1)(CCCN(C)C)CCCN(C)C
InChI:   InChI=1/C17H37N3/c1-18(2)12-8-14-20(15-9-13-19(3)4)16-17-10-6-5-7-11-17/h17H,5-16H2,1-4H3

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Potential Energy
Epot(MMFF94)=46.3863 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.504 g/mol  logS: -1.86212  SlogP: 2.7721  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10315  Sterimol/B1: 2.35194  Sterimol/B2: 2.69317  Sterimol/B3: 4.18809
  Sterimol/B4: 10.5432  Sterimol/L: 15.659 
 
 Surface and Volume Properties
  Accessible surface: 621.022  Positive charged surface: 576.208  Negative charged surface: 44.814  Volume: 335.25
  Hydrophobic surface: 614.574  Hydrophilic surface: 6.4480000000001
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs00695093
CHEMBRIDGE-ZINC01719690