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PUBCHEM-ZINC02741880

 MMsINC code: MMs02914653
Type: Neutral
Formula: C14H10ClFN2O4
SMILES:   Clc1cccc(F)c1\C=N\NC(=O)c1cc(O)c(O)c(O)c1
InChI:   InChI=1/C14H10ClFN2O4/c15-9-2-1-3-10(16)8(9)6-17-18-14(22)7-4-11(19)13(21)12(20)5-7/h1-6,19-21H,(H,18,22)/b17-6+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.504 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.695 g/mol  logS: -3.48157  SlogP: 2.3598  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00275399  Sterimol/B1: 2.097  Sterimol/B2: 2.38763  Sterimol/B3: 3.91212
  Sterimol/B4: 4.75657  Sterimol/L: 17.0507 
 
 Surface and Volume Properties
  Accessible surface: 523.662  Positive charged surface: 277.21  Negative charged surface: 246.452  Volume: 263.5
  Hydrophobic surface: 317.242  Hydrophilic surface: 206.42
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.