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ENAMINE-ZINC03365066

 MMsINC code: MMs01398040
Type: Neutral
Formula: C21H21FN2O6
SMILES:   Fc1ccc(NC(=O)COc2ccc(cc2OC)C(OCC(=O)NC2CC2)=O)cc1
InChI:   InChI=1/C21H21FN2O6/c1-28-18-10-13(21(27)30-12-20(26)24-16-7-8-16)2-9-17(18)29-11-19(25)23-15-5-3-14(22)4-6-15/h2-6,9-10,16H,7-8,11-12H2,1H3,(H,23,25)(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.048 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.405 g/mol  logS: -4.88373  SlogP: 2.2872  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0100531  Sterimol/B1: 2.27055  Sterimol/B2: 2.50048  Sterimol/B3: 3.17069
  Sterimol/B4: 9.55313  Sterimol/L: 23.6853 
 
 Surface and Volume Properties
  Accessible surface: 739.031  Positive charged surface: 469.778  Negative charged surface: 269.253  Volume: 375.875
  Hydrophobic surface: 543.921  Hydrophilic surface: 195.11
 
 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.