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ASINEX-ZINC04612810

 MMsINC code: MMs00356175
Type: Neutral
Formula: C15H30N2
SMILES:   N(CCCNCC1C(CC(=CC1C)C)C)(C)C
InChI:   InChI=1/C15H30N2/c1-12-9-13(2)15(14(3)10-12)11-16-7-6-8-17(4)5/h9,13-16H,6-8,10-11H2,1-5H3/t13-,14-,15+/m1/s1

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Potential Energy
Epot(MMFF94)=38.1758 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.419 g/mol  logS: -1.82803  SlogP: 2.7661  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0716525  Sterimol/B1: 2.01623  Sterimol/B2: 2.91795  Sterimol/B3: 5.27204
  Sterimol/B4: 5.82476  Sterimol/L: 16.985 
 
 Surface and Volume Properties
  Accessible surface: 538.564  Positive charged surface: 457.168  Negative charged surface: 81.3956  Volume: 283.75
  Hydrophobic surface: 475.146  Hydrophilic surface: 63.418
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs00356176
ASINEX-ZINC04612810