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ENAMINE-ZINC03420597

 MMsINC code: MMs01431706
Type: Neutral
Formula: C24H23FN2O
SMILES:   Fc1ccc(NC(=O)C(NC2CCCc3c2cccc3)c2ccccc2)cc1
InChI:   InChI=1/C24H23FN2O/c25-19-13-15-20(16-14-19)26-24(28)23(18-8-2-1-3-9-18)27-22-12-6-10-17-7-4-5-11-21(17)22/h1-5,7-9,11,13-16,22-23,27H,6,10,12H2,(H,26,28)/t22-,23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.611 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.459 g/mol  logS: -6.08555  SlogP: 5.36367  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.177005  Sterimol/B1: 2.56121  Sterimol/B2: 3.58819  Sterimol/B3: 5.4032
  Sterimol/B4: 8.76016  Sterimol/L: 16.8087 
 
 Surface and Volume Properties
  Accessible surface: 638.542  Positive charged surface: 365.743  Negative charged surface: 272.799  Volume: 370.5
  Hydrophobic surface: 603.161  Hydrophilic surface: 35.381
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.