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ASINEX-ZINC00285234

 MMsINC code: MMs00108636
Type: Ionized
Formula: C15H7FNO4-
SMILES:   Fc1cc(N2C(=O)c3c(ccc(c3)C(=O)[O-])C2=O)ccc1
InChI:   InChI=1/C15H8FNO4/c16-9-2-1-3-10(7-9)17-13(18)11-5-4-8(15(20)21)6-12(11)14(17)19/h1-7H,(H,20,21)/p-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.2476 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.222 g/mol  logS: -4.28342  SlogP: 0.9898  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.81036e-07  Sterimol/B1: 2.09707  Sterimol/B2: 2.10051  Sterimol/B3: 3.23967
  Sterimol/B4: 5.10845  Sterimol/L: 15.6241 
 
 Surface and Volume Properties
  Accessible surface: 455.004  Positive charged surface: 187.634  Negative charged surface: 267.37  Volume: 237.125
  Hydrophobic surface: 295.061  Hydrophilic surface: 159.943
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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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Parent related molecule:


MMs00108635
ASINEX-ZINC00285234