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CHEMDIV-ZINC04880900

 MMsINC code: MMs00960240
Type: Neutral
Formula: C18H14ClFN2O4
SMILES:   Clc1cc(NC(=O)c2noc(c2)-c2cc(OC)c(OC)cc2)ccc1F
InChI:   InChI=1/C18H14ClFN2O4/c1-24-15-6-3-10(7-17(15)25-2)16-9-14(22-26-16)18(23)21-11-4-5-13(20)12(19)8-11/h3-9H,1-2H3,(H,21,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.816 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.771 g/mol  logS: -5.67935  SlogP: 4.4036  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0110359  Sterimol/B1: 2.47566  Sterimol/B2: 2.60684  Sterimol/B3: 3.66588
  Sterimol/B4: 7.49637  Sterimol/L: 19.7508 
 
 Surface and Volume Properties
  Accessible surface: 618.113  Positive charged surface: 348.994  Negative charged surface: 269.118  Volume: 320
  Hydrophobic surface: 523.817  Hydrophilic surface: 94.296
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.