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CHEMDIV-ZINC04798817

 MMsINC code: MMs00957418
Type: Neutral
Formula: C26H25FN2O5
SMILES:   Fc1ccccc1C1N(C)C(=O)c2c(cc(OC)c(OC)c2)C1C(=O)Nc1cc(OC)ccc1
InChI:   InChI=1/C26H25FN2O5/c1-29-24(17-10-5-6-11-20(17)27)23(25(30)28-15-8-7-9-16(12-15)32-2)18-13-21(33-3)22(34-4)14-19(18)26(29)31/h5-14,23-24H,1-4H3,(H,28,30)/t23-,24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=227.305 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 464.493 g/mol  logS: -5.6939  SlogP: 4.4962  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.239555  Sterimol/B1: 2.8219  Sterimol/B2: 4.6283  Sterimol/B3: 6.70834
  Sterimol/B4: 9.32494  Sterimol/L: 15.9697 
 
 Surface and Volume Properties
  Accessible surface: 714.261  Positive charged surface: 506.195  Negative charged surface: 208.066  Volume: 419.875
  Hydrophobic surface: 649.788  Hydrophilic surface: 64.473
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.