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ENAMINE-ZINC03329256

 MMsINC code: MMs01375538
Type: Neutral
Formula: C20H17F2N3O
SMILES:   Fc1cc(F)ccc1NC(=O)Nc1c2CCCCc2nc2c1cccc2
InChI:   InChI=1/C20H17F2N3O/c21-12-9-10-18(15(22)11-12)24-20(26)25-19-13-5-1-3-7-16(13)23-17-8-4-2-6-14(17)19/h1,3,5,7,9-11H,2,4,6,8H2,(H2,23,24,25,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.4249 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.372 g/mol  logS: -5.51936  SlogP: 5.03574  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0968017  Sterimol/B1: 2.55873  Sterimol/B2: 3.82533  Sterimol/B3: 4.21902
  Sterimol/B4: 9.69436  Sterimol/L: 15.529 
 
 Surface and Volume Properties
  Accessible surface: 576.574  Positive charged surface: 338.572  Negative charged surface: 232.433  Volume: 314.875
  Hydrophobic surface: 518.581  Hydrophilic surface: 57.993
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.