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PUBCHEM-ZINC06453716

 MMsINC code: MMs03742108
Type: Neutral
Formula: C20H23FN2O6
SMILES:   Fc1ccc(cc1)CNC(=O)C(NC(=O)c1cc(OC)c(OC)c(OC)c1)CO
InChI:   InChI=1/C20H23FN2O6/c1-27-16-8-13(9-17(28-2)18(16)29-3)19(25)23-15(11-24)20(26)22-10-12-4-6-14(21)7-5-12/h4-9,15,24H,10-11H2,1-3H3,(H,22,26)(H,23,25)/t15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.999 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.41 g/mol  logS: -3.71506  SlogP: 1.525  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.055761  Sterimol/B1: 2.04842  Sterimol/B2: 3.8408  Sterimol/B3: 5.09723
  Sterimol/B4: 9.18299  Sterimol/L: 20.6483 
 
 Surface and Volume Properties
  Accessible surface: 709.707  Positive charged surface: 510.15  Negative charged surface: 199.557  Volume: 369.625
  Hydrophobic surface: 568.79  Hydrophilic surface: 140.917
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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.