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ASINEX-ZINC00060703

 MMsINC code: MMs00066936
Type: Neutral
Formula: C17H26N2O2
SMILES:   O1CCN(CC1)CCNC(=O)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C17H26N2O2/c1-17(2,3)15-6-4-14(5-7-15)16(20)18-8-9-19-10-12-21-13-11-19/h4-7H,8-13H2,1-3H3,(H,18,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.2015 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.407 g/mol  logS: -3.73996  SlogP: 2.0461  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0326293  Sterimol/B1: 2.29296  Sterimol/B2: 3.85081  Sterimol/B3: 4.26839
  Sterimol/B4: 4.8673  Sterimol/L: 17.9248 
 
 Surface and Volume Properties
  Accessible surface: 572.865  Positive charged surface: 425.862  Negative charged surface: 147.003  Volume: 305.875
  Hydrophobic surface: 462.107  Hydrophilic surface: 110.758
 
 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


MMs00066937
ASINEX-ZINC00060703