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ENAMINE-ZINC03571047

 MMsINC code: MMs01513768
Type: Tautomer
Formula: C24H25FN2O3
SMILES:   Fc1ccc(NC(=O)C(N(Cc2ccc(OC)cc2OC)C)c2ccccc2)cc1
InChI:   InChI=1/C24H25FN2O3/c1-27(16-18-9-14-21(29-2)15-22(18)30-3)23(17-7-5-4-6-8-17)24(28)26-20-12-10-19(25)11-13-20/h4-15,23H,16H2,1-3H3,(H,26,28)/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=143.407 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.473 g/mol  logS: -5.4164  SlogP: 5.0166  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13251  Sterimol/B1: 2.87942  Sterimol/B2: 3.41967  Sterimol/B3: 5.38996
  Sterimol/B4: 8.79343  Sterimol/L: 18.42 
 
 Surface and Volume Properties
  Accessible surface: 671.5  Positive charged surface: 446.097  Negative charged surface: 225.403  Volume: 396.5
  Hydrophobic surface: 632.071  Hydrophilic surface: 39.429
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 1
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Parent related molecule:


MMs01513767
ENAMINE-ZINC03571047