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CHEMBLOCK-ZINC01446148

 MMsINC code: MMs00528278
Type: Neutral
Formula: C24H22FNO4
SMILES:   Fc1ccc(cc1)CN1C(C(Oc2ccccc2)C1=O)c1cc(OC)c(OC)cc1
InChI:   InChI=1/C24H22FNO4/c1-28-20-13-10-17(14-21(20)29-2)22-23(30-19-6-4-3-5-7-19)24(27)26(22)15-16-8-11-18(25)12-9-16/h3-14,22-23H,15H2,1-2H3/t22-,23+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=139.985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.441 g/mol  logS: -5.58222  SlogP: 4.7359  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.288246  Sterimol/B1: 2.41814  Sterimol/B2: 4.16885  Sterimol/B3: 6.68985
  Sterimol/B4: 8.54849  Sterimol/L: 14.8287 
 
 Surface and Volume Properties
  Accessible surface: 642.454  Positive charged surface: 396.759  Negative charged surface: 220.617  Volume: 380.625
  Hydrophobic surface: 574.209  Hydrophilic surface: 68.245
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.