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AURORAFEINCHEMIE-ZINC06666975

 MMsINC code: MMs00479400
Type: Neutral
Formula: C14H12F3NO4
SMILES:   FC(F)(F)C1=CC(=O)N(c2c1cc(OC(=O)C)c(OC)c2)C
InChI:   InChI=1/C14H12F3NO4/c1-7(19)22-12-4-8-9(14(15,16)17)5-13(20)18(2)10(8)6-11(12)21-3/h4-6H,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.3604 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.247 g/mol  logS: -3.60568  SlogP: 2.9625  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0454619  Sterimol/B1: 2.9694  Sterimol/B2: 3.23767  Sterimol/B3: 4.40851
  Sterimol/B4: 6.76718  Sterimol/L: 13.4214 
 
 Surface and Volume Properties
  Accessible surface: 495.126  Positive charged surface: 278.864  Negative charged surface: 216.262  Volume: 252.5
  Hydrophobic surface: 314.285  Hydrophilic surface: 180.841
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.