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PUBCHEM-ZINC00327566

 MMsINC code: MMs02655583
Type: Neutral
Formula: C17H19FN2O3
SMILES:   Fc1ccc(NC(=O)CCN(C(=O)c2ccoc2)C(C)C)cc1
InChI:   InChI=1/C17H19FN2O3/c1-12(2)20(17(22)13-8-10-23-11-13)9-7-16(21)19-15-5-3-14(18)4-6-15/h3-6,8,10-12H,7,9H2,1-2H3,(H,19,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.332 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.348 g/mol  logS: -3.85142  SlogP: 3.2981  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0817383  Sterimol/B1: 2.42033  Sterimol/B2: 2.52082  Sterimol/B3: 4.52607
  Sterimol/B4: 8.6894  Sterimol/L: 15.5072 
 
 Surface and Volume Properties
  Accessible surface: 553.362  Positive charged surface: 294.058  Negative charged surface: 259.304  Volume: 299.25
  Hydrophobic surface: 442.603  Hydrophilic surface: 110.759
 
 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: no related molecules available.