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ASINEX-ZINC00279952

 MMsINC code: MMs00106952
Type: Tautomer
Formula: C13H26N2
SMILES:   N(CC(C)=C)(CC)C1CCN(CC1)CC
InChI:   InChI=1/C13H26N2/c1-5-14-9-7-13(8-10-14)15(6-2)11-12(3)4/h13H,3,5-11H2,1-2,4H3

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Potential Energy
Epot(MMFF94)=37.9813 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.365 g/mol  logS: -1.1063  SlogP: 2.3687  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0867487  Sterimol/B1: 3.24113  Sterimol/B2: 3.29131  Sterimol/B3: 3.33026
  Sterimol/B4: 6.05901  Sterimol/L: 14.3763 
 
 Surface and Volume Properties
  Accessible surface: 465.761  Positive charged surface: 365.597  Negative charged surface: 100.164  Volume: 247.375
  Hydrophobic surface: 388.765  Hydrophilic surface: 76.996
 
 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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Parent related molecule:


MMs00106951
ASINEX-ZINC00279952