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ASINEX-ZINC02056951

 MMsINC code: MMs00261564
Type: Neutral
Formula: C18H28N2O2
SMILES:   O1CCN(CC1)CCCNC(=O)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C18H28N2O2/c1-18(2,3)16-7-5-15(6-8-16)17(21)19-9-4-10-20-11-13-22-14-12-20/h5-8H,4,9-14H2,1-3H3,(H,19,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.7427 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.434 g/mol  logS: -3.94173  SlogP: 2.4362  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0291473  Sterimol/B1: 2.29144  Sterimol/B2: 3.91973  Sterimol/B3: 4.89249
  Sterimol/B4: 5.0008  Sterimol/L: 19.2499 
 
 Surface and Volume Properties
  Accessible surface: 606.815  Positive charged surface: 457.803  Negative charged surface: 149.012  Volume: 324.375
  Hydrophobic surface: 496.266  Hydrophilic surface: 110.549
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00261565
ASINEX-ZINC02056951