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CHEMBRIDGE-ZINC00273696

 MMsINC code: MMs00599839
Type: Neutral
Formula: C14H9Cl2FN2O2
SMILES:   Clc1cccc(F)c1\C=N\NC(=O)c1ccc(Cl)cc1O
InChI:   InChI=1/C14H9Cl2FN2O2/c15-8-4-5-9(13(20)6-8)14(21)19-18-7-10-11(16)2-1-3-12(10)17/h1-7,20H,(H,19,21)/b18-7+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.9977 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.142 g/mol  logS: -4.93976  SlogP: 3.602  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00118907  Sterimol/B1: 2.14881  Sterimol/B2: 2.18344  Sterimol/B3: 3.79266
  Sterimol/B4: 4.57039  Sterimol/L: 17.6215 
 
 Surface and Volume Properties
  Accessible surface: 515.84  Positive charged surface: 229.751  Negative charged surface: 286.089  Volume: 264.25
  Hydrophobic surface: 415.809  Hydrophilic surface: 100.031
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.