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ANALYTICONDISCOVERY-ZINC04235917

 MMsINC code: MMs00031664
Type: Neutral
Formula: C26H22FN3O4
SMILES:   Fc1cc(ccc1)C(=O)N1CC2N(CC1)C(=O)c1cc(ccc1NC2=O)-c1ccc(OC)cc1
InChI:   InChI=1/C26H22FN3O4/c1-34-20-8-5-16(6-9-20)17-7-10-22-21(14-17)26(33)30-12-11-29(15-23(30)24(31)28-22)25(32)18-3-2-4-19(27)13-18/h2-10,13-14,23H,11-12,15H2,1H3,(H,28,31)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=188.668 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 459.477 g/mol  logS: -6.53101  SlogP: 3.4202  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130004  Sterimol/B1: 2.78305  Sterimol/B2: 5.2605  Sterimol/B3: 5.43033
  Sterimol/B4: 7.67647  Sterimol/L: 19.2092 
 
 Surface and Volume Properties
  Accessible surface: 699.599  Positive charged surface: 406.004  Negative charged surface: 282.888  Volume: 414
  Hydrophobic surface: 569.966  Hydrophilic surface: 129.633
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.