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ASINEX-ZINC02373649

 MMsINC code: MMs00270444
Type: Neutral
Formula: C15H26N2
SMILES:   N(CCCNCc1ccc(cc1)C(C)C)(C)C
InChI:   InChI=1/C15H26N2/c1-13(2)15-8-6-14(7-9-15)12-16-10-5-11-17(3)4/h6-9,13,16H,5,10-12H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.147 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.387 g/mol  logS: -2.7294  SlogP: 3.1177  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0496981  Sterimol/B1: 3.11616  Sterimol/B2: 3.39685  Sterimol/B3: 4.07157
  Sterimol/B4: 4.49318  Sterimol/L: 18.0396 
 
 Surface and Volume Properties
  Accessible surface: 549.147  Positive charged surface: 441.16  Negative charged surface: 107.986  Volume: 276.75
  Hydrophobic surface: 484.198  Hydrophilic surface: 64.949
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00270445
ASINEX-ZINC02373649