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CHEMDIV-ZINC03895569

MMsINC code: MMs00917468

Type: Neutral
Formula: C19H17FN2O4
SMILES:   Fc1ccccc1NC(=O)C=1c2c(cc(OC)c(OC)c2)C(=O)N(C=1)C
InChI:   InChI=1/C19H17FN2O4/c1-22-10-13(18(23)21-15-7-5-4-6-14(15)20)11-8-16(25-2)17(26-3)9-12(11)19(22)24/h4-10H,1-3H3,(H,21,23)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=125.058 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.353 g/mol  logS: -4.22175  SlogP: 2.9081  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0114524  Sterimol/B1: 1.969  Sterimol/B2: 2.42169  Sterimol/B3: 2.655
  Sterimol/B4: 10.9092  Sterimol/L: 16.9422 
 
 Surface and Volume Properties
  Accessible surface: 583.794  Positive charged surface: 398.719  Negative charged surface: 185.075  Volume: 318.875
  Hydrophobic surface: 509.765  Hydrophilic surface: 74.029
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.