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ASINEX-ZINC01360051

 MMsINC code: MMs00245967
Type: Neutral
Formula: C23H19FN4O2
SMILES:   Fc1ccccc1NC(=O)N(Cc1ccccc1)CC=1NC(=O)c2c(N=1)cccc2
InChI:   InChI=1/C23H19FN4O2/c24-18-11-5-7-13-20(18)26-23(30)28(14-16-8-2-1-3-9-16)15-21-25-19-12-6-4-10-17(19)22(29)27-21/h1-13H,14-15H2,(H,26,30)(H,25,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.4371 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.429 g/mol  logS: -5.98599  SlogP: 4.5998  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146436  Sterimol/B1: 3.00242  Sterimol/B2: 3.61153  Sterimol/B3: 4.71192
  Sterimol/B4: 10.8621  Sterimol/L: 15.1421 
 
 Surface and Volume Properties
  Accessible surface: 659.373  Positive charged surface: 356.976  Negative charged surface: 302.396  Volume: 372.5
  Hydrophobic surface: 556.826  Hydrophilic surface: 102.547
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: no related molecules available.