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CHEMBLOCK-ZINC01062117

 MMsINC code: MMs00512031
Type: Neutral
Formula: C20H17FN2O5
SMILES:   Fc1ccc(cc1)COc1ccc(cc1OCC)C=C1C(=O)NC(=O)NC1=O
InChI:   InChI=1/C20H17FN2O5/c1-2-27-17-10-13(9-15-18(24)22-20(26)23-19(15)25)5-8-16(17)28-11-12-3-6-14(21)7-4-12/h3-10H,2,11H2,1H3,(H2,22,23,24,25,26)

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Potential Energy
Epot(MMFF94)=59.6919 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.363 g/mol  logS: -5.30195  SlogP: 2.8192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0620079  Sterimol/B1: 2.44913  Sterimol/B2: 3.05995  Sterimol/B3: 4.40658
  Sterimol/B4: 9.32531  Sterimol/L: 18.4569 
 
 Surface and Volume Properties
  Accessible surface: 646.724  Positive charged surface: 377.339  Negative charged surface: 269.385  Volume: 338.625
  Hydrophobic surface: 426.156  Hydrophilic surface: 220.568
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.