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ASINEX-ZINC00256657

 MMsINC code: MMs00100850
Type: Neutral
Formula: C18H26N2O3
SMILES:   O(C(=O)C1CCN(CC1)CCC(=O)Nc1ccc(cc1)C)CC
InChI:   InChI=1/C18H26N2O3/c1-3-23-18(22)15-8-11-20(12-9-15)13-10-17(21)19-16-6-4-14(2)5-7-16/h4-7,15H,3,8-13H2,1-2H3,(H,19,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.318 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.417 g/mol  logS: -2.88494  SlogP: 2.59872  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0275106  Sterimol/B1: 2.41619  Sterimol/B2: 2.51511  Sterimol/B3: 4.02068
  Sterimol/B4: 5.97946  Sterimol/L: 21.6273 
 
 Surface and Volume Properties
  Accessible surface: 635.513  Positive charged surface: 463.014  Negative charged surface: 172.499  Volume: 324.625
  Hydrophobic surface: 534.779  Hydrophilic surface: 100.734
 
 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


MMs00100851
ASINEX-ZINC00256657