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ENAMINE-ZINC01936158

 MMsINC code: MMs01246234
Type: Neutral
Formula: C18H13F3N2O5
SMILES:   FC(F)(F)c1ccccc1NC(=O)COC(=O)\C=C\c1cc([N+](=O)[O-])ccc1
InChI:   InChI=1/C18H13F3N2O5/c19-18(20,21)14-6-1-2-7-15(14)22-16(24)11-28-17(25)9-8-12-4-3-5-13(10-12)23(26)27/h1-10H,11H2,(H,22,24)/b9-8+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.67 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.305 g/mol  logS: -6.11564  SlogP: 4.1202  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00841089  Sterimol/B1: 2.6776  Sterimol/B2: 3.03897  Sterimol/B3: 3.24138
  Sterimol/B4: 5.90722  Sterimol/L: 20.9603 
 
 Surface and Volume Properties
  Accessible surface: 625.631  Positive charged surface: 245.956  Negative charged surface: 379.675  Volume: 320.625
  Hydrophobic surface: 373.677  Hydrophilic surface: 251.954
 
 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.