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IBS-ZINC04956132

 MMsINC code: MMs01909347
Type: Neutral
Formula: C20H18FNO5
SMILES:   Fc1ccc(N2C(C(C(=O)C)C(=O)C2=O)c2ccc(OC)cc2OC)cc1
InChI:   InChI=1/C20H18FNO5/c1-11(23)17-18(15-9-8-14(26-2)10-16(15)27-3)22(20(25)19(17)24)13-6-4-12(21)5-7-13/h4-10,17-18H,1-3H3/t17-,18-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.8916 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.364 g/mol  logS: -4.22  SlogP: 2.8006  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.307344  Sterimol/B1: 3.7504  Sterimol/B2: 3.84044  Sterimol/B3: 4.82327
  Sterimol/B4: 8.65957  Sterimol/L: 13.4094 
 
 Surface and Volume Properties
  Accessible surface: 583.516  Positive charged surface: 350.85  Negative charged surface: 232.667  Volume: 333.375
  Hydrophobic surface: 470.147  Hydrophilic surface: 113.369
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs01909348
IBS-ZINC04956132


MMs01909350
IBS-ZINC04956132


MMs01909349
IBS-ZINC04956132


MMs01909351
IBS-ZINC04956132