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ENAMINE-ZINC03571635

 MMsINC code: MMs01514088
Type: Tautomer
Formula: C24H25FN2O3
SMILES:   Fc1ccc(NC(=O)C(N(Cc2cccc(OC)c2OC)C)c2ccccc2)cc1
InChI:   InChI=1/C24H25FN2O3/c1-27(16-18-10-7-11-21(29-2)23(18)30-3)22(17-8-5-4-6-9-17)24(28)26-20-14-12-19(25)13-15-20/h4-15,22H,16H2,1-3H3,(H,26,28)/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=161.227 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: 0.141922  Sterimol/B1: 3.55607  Sterimol/B2: 4.35238  Sterimol/B3: 4.8442
  Sterimol/B4: 8.63348  Sterimol/L: 17.3704 
 
 Surface and Volume Properties
  Accessible surface: 681.263  Positive charged surface: 447.721  Negative charged surface: 233.542  Volume: 395.875
  Hydrophobic surface: 648.975  Hydrophilic surface: 32.288
 
 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:


MMs01514087
ENAMINE-ZINC03571635