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ENAMINE-ZINC05792432

 MMsINC code: MMs01639212
Type: Neutral
Formula: C22H23F2N3O3
SMILES:   Fc1ccc(F)cc1C1(NC(=O)N(CC(=O)NC(CCC)c2ccccc2)C1=O)C
InChI:   InChI=1/C22H23F2N3O3/c1-3-7-18(14-8-5-4-6-9-14)25-19(28)13-27-20(29)22(2,26-21(27)30)16-12-15(23)10-11-17(16)24/h4-6,8-12,18H,3,7,13H2,1-2H3,(H,25,28)(H,26,30)/t18-,22+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.4115 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.44 g/mol  logS: -5.70423  SlogP: 3.7964  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0782962  Sterimol/B1: 2.19628  Sterimol/B2: 3.64941  Sterimol/B3: 4.2415
  Sterimol/B4: 8.74251  Sterimol/L: 18.3256 
 
 Surface and Volume Properties
  Accessible surface: 671.839  Positive charged surface: 384.783  Negative charged surface: 287.056  Volume: 377.5
  Hydrophobic surface: 527.331  Hydrophilic surface: 144.508
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.