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CHEMBRIDGE-ZINC02884492

MMsINC code: MMs00735185

Type: Ionized
Formula: C20H16FN2O3-
SMILES:   Fc1ccc(cc1)-c1n(c(cc1)CCC(=O)[O-])-c1ccc(cc1)C(=O)N
InChI:   InChI=1/C20H17FN2O3/c21-15-5-1-13(2-6-15)18-11-9-17(10-12-19(24)25)23(18)16-7-3-14(4-8-16)20(22)26/h1-9,11H,10,12H2,(H2,22,26)(H,24,25)/p-1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=66.9008 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.357 g/mol  logS: -4.81441  SlogP: 2.06477  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110163  Sterimol/B1: 2.38423  Sterimol/B2: 4.61444  Sterimol/B3: 4.68444
  Sterimol/B4: 8.43936  Sterimol/L: 14.8312 
 
 Surface and Volume Properties
  Accessible surface: 586.007  Positive charged surface: 305.455  Negative charged surface: 280.552  Volume: 326.75
  Hydrophobic surface: 380.911  Hydrophilic surface: 205.096
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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MMs00735184
CHEMBRIDGE-ZINC02884492