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IBS-ZINC02151509

 MMsINC code: MMs01795978
Type: Neutral
Formula: C19H15F3N2O3
SMILES:   FC(F)(F)Oc1ccc(cc1)C1NC(Cc2c1[nH]c1c2cccc1)C(O)=O
InChI:   InChI=1/C19H15F3N2O3/c20-19(21,22)27-11-7-5-10(6-8-11)16-17-13(9-15(24-16)18(25)26)12-3-1-2-4-14(12)23-17/h1-8,15-16,23-24H,9H2,(H,25,26)/t15-,16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.3103 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.334 g/mol  logS: -4.70514  SlogP: 4.27017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130501  Sterimol/B1: 2.79984  Sterimol/B2: 3.49522  Sterimol/B3: 5.12647
  Sterimol/B4: 9.59524  Sterimol/L: 15.3537 
 
 Surface and Volume Properties
  Accessible surface: 583.878  Positive charged surface: 281.32  Negative charged surface: 296.715  Volume: 315.125
  Hydrophobic surface: 344.278  Hydrophilic surface: 239.6
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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: no related molecules available.