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ASINEX-ZINC04388767

 MMsINC code: MMs00332364
Type: Neutral
Formula: C23H24FN5O
SMILES:   Fc1ccc(N(Cc2ccccc2)C(=O)CN2CCN(CC2)c2ncccn2)cc1
InChI:   InChI=1/C23H24FN5O/c24-20-7-9-21(10-8-20)29(17-19-5-2-1-3-6-19)22(30)18-27-13-15-28(16-14-27)23-25-11-4-12-26-23/h1-12H,13-18H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=151.416 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.477 g/mol  logS: -4.81694  SlogP: 3.2375  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0749625  Sterimol/B1: 2.35783  Sterimol/B2: 3.64095  Sterimol/B3: 4.91006
  Sterimol/B4: 9.81484  Sterimol/L: 17.5112 
 
 Surface and Volume Properties
  Accessible surface: 678.339  Positive charged surface: 476.794  Negative charged surface: 201.545  Volume: 387.875
  Hydrophobic surface: 616.995  Hydrophilic surface: 61.344
 
 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: 1
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Ions/Tautomers related molecules


MMs00332365
ASINEX-ZINC04388767