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CHEMDIV-ZINC01772125

 MMsINC code: MMs00867883
Type: Neutral
Formula: C26H19F2N3O3
SMILES:   Fc1cc(F)ccc1N(C(=O)c1ccc(cc1)C#N)CCCCN1C(=O)c2c(cccc2)C1=O
InChI:   InChI=1/C26H19F2N3O3/c27-19-11-12-23(22(28)15-19)30(24(32)18-9-7-17(16-29)8-10-18)13-3-4-14-31-25(33)20-5-1-2-6-21(20)26(31)34/h1-2,5-12,15H,3-4,13-14H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.327 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 459.452 g/mol  logS: -6.9375  SlogP: 4.55968  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0410131  Sterimol/B1: 3.42118  Sterimol/B2: 4.33736  Sterimol/B3: 5.25159
  Sterimol/B4: 5.36935  Sterimol/L: 22.1599 
 
 Surface and Volume Properties
  Accessible surface: 720.714  Positive charged surface: 378.04  Negative charged surface: 342.674  Volume: 413
  Hydrophobic surface: 538.26  Hydrophilic surface: 182.454
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.