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ENAMINE-ZINC03380311

MMsINC code: MMs01406450

Type: Neutral
Formula: C21H15F2NO4
SMILES:   Fc1cccc(F)c1NC(=O)COC(=O)c1ccccc1Oc1ccccc1
InChI:   InChI=1/C21H15F2NO4/c22-16-10-6-11-17(23)20(16)24-19(25)13-27-21(26)15-9-4-5-12-18(15)28-14-7-2-1-3-8-14/h1-12H,13H2,(H,24,25)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=122.93 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.35 g/mol  logS: -6.13571  SlogP: 4.5526  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0273558  Sterimol/B1: 2.65187  Sterimol/B2: 3.54663  Sterimol/B3: 3.69626
  Sterimol/B4: 7.2679  Sterimol/L: 20.4487 
 
 Surface and Volume Properties
  Accessible surface: 642.06  Positive charged surface: 352.373  Negative charged surface: 289.687  Volume: 335.875
  Hydrophobic surface: 564.092  Hydrophilic surface: 77.968
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.