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ASINEX-ZINC04848131

 MMsINC code: MMs00378506
Type: Neutral
Formula: C23H19FN4O2
SMILES:   Fc1ccc(NC(=O)N(Cc2ccccc2)CC=2NC(=O)c3c(N=2)cccc3)cc1
InChI:   InChI=1/C23H19FN4O2/c24-17-10-12-18(13-11-17)25-23(30)28(14-16-6-2-1-3-7-16)15-21-26-20-9-5-4-8-19(20)22(29)27-21/h1-13H,14-15H2,(H,25,30)(H,26,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.9371 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: 0.143495  Sterimol/B1: 2.99821  Sterimol/B2: 3.53509  Sterimol/B3: 4.68975
  Sterimol/B4: 11.1109  Sterimol/L: 15.1296 
 
 Surface and Volume Properties
  Accessible surface: 659.863  Positive charged surface: 362.302  Negative charged surface: 297.561  Volume: 372.5
  Hydrophobic surface: 555.715  Hydrophilic surface: 104.148
 
 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.