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ASINEX-ZINC00885462

 MMsINC code: MMs00207805
Type: Neutral
Formula: C23H21FN4O4
SMILES:   Fc1ccc(cc1)C(n1nnc2c1cccc2)NC(=O)c1cc(OC)c(OC)c(OC)c1
InChI:   InChI=1/C23H21FN4O4/c1-30-19-12-15(13-20(31-2)21(19)32-3)23(29)25-22(14-8-10-16(24)11-9-14)28-18-7-5-4-6-17(18)26-27-28/h4-13,22H,1-3H3,(H,25,29)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.365 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 436.443 g/mol  logS: -5.08589  SlogP: 3.6686  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187007  Sterimol/B1: 2.23891  Sterimol/B2: 4.24662  Sterimol/B3: 7.37112
  Sterimol/B4: 8.11909  Sterimol/L: 17.6902 
 
 Surface and Volume Properties
  Accessible surface: 713.277  Positive charged surface: 449.345  Negative charged surface: 263.932  Volume: 397.25
  Hydrophobic surface: 613.387  Hydrophilic surface: 99.89
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.