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ENAMINE-ZINC05791862

 MMsINC code: MMs01639074
Type: Neutral
Formula: C20H17F2N3O4
SMILES:   Fc1ccc(F)cc1C1(NC(=O)N(CC(=O)Nc2ccc(cc2)C(=O)C)C1=O)C
InChI:   InChI=1/C20H17F2N3O4/c1-11(26)12-3-6-14(7-4-12)23-17(27)10-25-18(28)20(2,24-19(25)29)15-9-13(21)5-8-16(15)22/h3-9H,10H2,1-2H3,(H,23,27)(H,24,29)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.487 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.369 g/mol  logS: -5.02826  SlogP: 2.8846  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0828601  Sterimol/B1: 3.61003  Sterimol/B2: 4.63552  Sterimol/B3: 4.79251
  Sterimol/B4: 6.18429  Sterimol/L: 17.0127 
 
 Surface and Volume Properties
  Accessible surface: 633.425  Positive charged surface: 338.353  Negative charged surface: 295.072  Volume: 346
  Hydrophobic surface: 452.42  Hydrophilic surface: 181.005
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.