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ENAMINE-ZINC05342642

 MMsINC code: MMs01608193
Type: Neutral
Formula: C20H18FN3O4
SMILES:   Fc1cc(NC(=O)CN2C(=O)C3(NC2=O)CCOc2c3cccc2)ccc1C
InChI:   InChI=1/C20H18FN3O4/c1-12-6-7-13(10-15(12)21)22-17(25)11-24-18(26)20(23-19(24)27)8-9-28-16-5-3-2-4-14(16)20/h2-7,10H,8-9,11H2,1H3,(H,22,25)(H,23,27)/t20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.0583 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.379 g/mol  logS: -4.65526  SlogP: 2.61392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0437073  Sterimol/B1: 3.03266  Sterimol/B2: 3.9891  Sterimol/B3: 4.89434
  Sterimol/B4: 5.67569  Sterimol/L: 18.7555 
 
 Surface and Volume Properties
  Accessible surface: 613.995  Positive charged surface: 360.874  Negative charged surface: 253.121  Volume: 338.125
  Hydrophobic surface: 482.474  Hydrophilic surface: 131.521
 
 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.