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ASINEX-ZINC01353321

 MMsINC code: MMs00243374
Type: Neutral
Formula: C23H22FN3O5
SMILES:   Fc1cc(ccc1)C(=O)Nc1ncc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(c1)C
InChI:   InChI=1/C23H22FN3O5/c1-13-8-20(27-22(28)14-6-5-7-16(24)9-14)25-12-17(13)26-23(29)15-10-18(30-2)21(32-4)19(11-15)31-3/h5-12H,1-4H3,(H,26,29)(H,25,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=142.496 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 439.443 g/mol  logS: -4.98457  SlogP: 4.05952  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0167348  Sterimol/B1: 2.29053  Sterimol/B2: 2.35827  Sterimol/B3: 4.4771
  Sterimol/B4: 9.26913  Sterimol/L: 22.5569 
 
 Surface and Volume Properties
  Accessible surface: 724.665  Positive charged surface: 502.291  Negative charged surface: 222.374  Volume: 397.25
  Hydrophobic surface: 622.822  Hydrophilic surface: 101.843
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.