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CHEMBLOCK-ZINC06646003

 MMsINC code: MMs00581313
Type: Neutral
Formula: C10H11FN2O4
SMILES:   FCCOC(=O)Nc1ccc(cc1[N+](=O)[O-])C
InChI:   InChI=1/C10H11FN2O4/c1-7-2-3-8(9(6-7)13(15)16)12-10(14)17-5-4-11/h2-3,6H,4-5H2,1H3,(H,12,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.9437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.206 g/mol  logS: -3.25163  SlogP: 2.42122  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0205392  Sterimol/B1: 2.73609  Sterimol/B2: 2.98378  Sterimol/B3: 3.00009
  Sterimol/B4: 6.30923  Sterimol/L: 14.3824 
 
 Surface and Volume Properties
  Accessible surface: 450.388  Positive charged surface: 247.481  Negative charged surface: 202.908  Volume: 203.25
  Hydrophobic surface: 291.615  Hydrophilic surface: 158.773
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.