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ENAMINE-ZINC03365033

 MMsINC code: MMs01398018
Type: Neutral
Formula: C21H23FN2O6
SMILES:   Fc1ccc(NC(=O)COc2ccc(cc2OC)C(OCC(=O)NC(C)C)=O)cc1
InChI:   InChI=1/C21H23FN2O6/c1-13(2)23-19(25)12-30-21(27)14-4-9-17(18(10-14)28-3)29-11-20(26)24-16-7-5-15(22)6-8-16/h4-10,13H,11-12H2,1-3H3,(H,23,25)(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.752 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.421 g/mol  logS: -4.98577  SlogP: 2.5332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0125473  Sterimol/B1: 2.46764  Sterimol/B2: 3.45504  Sterimol/B3: 4.11096
  Sterimol/B4: 8.4979  Sterimol/L: 23.7156 
 
 Surface and Volume Properties
  Accessible surface: 747.882  Positive charged surface: 484.72  Negative charged surface: 263.162  Volume: 383
  Hydrophobic surface: 560.814  Hydrophilic surface: 187.068
 
 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.