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ENAMINE-ZINC03365063

 MMsINC code: MMs01398038
Type: Neutral
Formula: C20H18FNO7
SMILES:   Fc1ccc(NC(=O)COc2ccc(cc2OC)C(OC2CCOC2=O)=O)cc1
InChI:   InChI=1/C20H18FNO7/c1-26-17-10-12(19(24)29-16-8-9-27-20(16)25)2-7-15(17)28-11-18(23)22-14-5-3-13(21)4-6-14/h2-7,10,16H,8-9,11H2,1H3,(H,22,23)/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.466 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.362 g/mol  logS: -4.91756  SlogP: 2.3241  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0172184  Sterimol/B1: 2.36065  Sterimol/B2: 3.44125  Sterimol/B3: 3.6227
  Sterimol/B4: 9.32359  Sterimol/L: 21.5781 
 
 Surface and Volume Properties
  Accessible surface: 677.472  Positive charged surface: 421.766  Negative charged surface: 255.706  Volume: 350.625
  Hydrophobic surface: 518.919  Hydrophilic surface: 158.553
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.