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PUBCHEM-ZINC06363494

 MMsINC code: MMs03687684
Type: Neutral
Formula: C19H22FNO8
SMILES:   FC1OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C1NC(=O)c1ccccc1
InChI:   InChI=1/C19H22FNO8/c1-10(22)26-9-14-16(27-11(2)23)17(28-12(3)24)15(18(20)29-14)21-19(25)13-7-5-4-6-8-13/h4-8,14-18H,9H2,1-3H3,(H,21,25)/t14-,15-,16-,17+,18+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.5688 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.382 g/mol  logS: -3.2735  SlogP: 1.3258  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100834  Sterimol/B1: 2.43285  Sterimol/B2: 3.06325  Sterimol/B3: 5.48966
  Sterimol/B4: 8.40727  Sterimol/L: 18.1913 
 
 Surface and Volume Properties
  Accessible surface: 671.628  Positive charged surface: 385.649  Negative charged surface: 285.979  Volume: 360.25
  Hydrophobic surface: 511.835  Hydrophilic surface: 159.793
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.