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MAYBRIDGE-ZINC01048679

 MMsINC code: MMs02157606
Type: Neutral
Formula: C16H10ClFN2O5
SMILES:   Clc1cccc(F)c1-c1noc(C)c1C(ONC(=O)c1occc1)=O
InChI:   InChI=1/C16H10ClFN2O5/c1-8-12(16(22)25-20-15(21)11-6-3-7-23-11)14(19-24-8)13-9(17)4-2-5-10(13)18/h2-7H,1H3,(H,20,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.978 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.716 g/mol  logS: -5.95476  SlogP: 3.53732  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110909  Sterimol/B1: 2.27776  Sterimol/B2: 3.61185  Sterimol/B3: 4.50828
  Sterimol/B4: 10.2346  Sterimol/L: 14.7074 
 
 Surface and Volume Properties
  Accessible surface: 583.909  Positive charged surface: 239.484  Negative charged surface: 344.426  Volume: 293.75
  Hydrophobic surface: 478.382  Hydrophilic surface: 105.527
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.