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FDA-ZINC01843306

 MMsINC code: MMs01725685
Type: Neutral
Formula: C19H22N2O3
SMILES:   OC(=O)C(CCCC)C(=O)N(Nc1ccccc1)c1ccccc1
InChI:   InChI=1/C19H22N2O3/c1-2-3-14-17(19(23)24)18(22)21(16-12-8-5-9-13-16)20-15-10-6-4-7-11-15/h4-13,17,20H,2-3,14H2,1H3,(H,23,24)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.2933 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.396 g/mol  logS: -4.62732  SlogP: 3.9377  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.202467  Sterimol/B1: 3.53638  Sterimol/B2: 3.69823  Sterimol/B3: 5.41336
  Sterimol/B4: 7.86235  Sterimol/L: 15.446 
 
 Surface and Volume Properties
  Accessible surface: 590.575  Positive charged surface: 362.332  Negative charged surface: 228.243  Volume: 325
  Hydrophobic surface: 475.657  Hydrophilic surface: 114.918
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs01725686
FDA-ZINC01843306