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ENAMINE-ZINC05792167

 MMsINC code: MMs01639151
Type: Neutral
Formula: C21H19F2N3O4
SMILES:   Fc1ccc(F)cc1C1(NC(=O)N(CC(=O)c2ccc(NC(=O)CC)cc2)C1=O)C
InChI:   InChI=1/C21H19F2N3O4/c1-3-18(28)24-14-7-4-12(5-8-14)17(27)11-26-19(29)21(2,25-20(26)30)15-10-13(22)6-9-16(15)23/h4-10H,3,11H2,1-2H3,(H,24,28)(H,25,30)/t21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.1337 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.396 g/mol  logS: -5.23003  SlogP: 3.2747  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0438856  Sterimol/B1: 2.53067  Sterimol/B2: 4.20041  Sterimol/B3: 4.59725
  Sterimol/B4: 6.35705  Sterimol/L: 20.4885 
 
 Surface and Volume Properties
  Accessible surface: 667.33  Positive charged surface: 367.986  Negative charged surface: 299.343  Volume: 363
  Hydrophobic surface: 472.579  Hydrophilic surface: 194.751
 
 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.