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MAYBRIDGE-ZINC01037892

 MMsINC code: MMs02152483
Type: Neutral
Formula: C18H9Cl2FN2O3
SMILES:   Clc1cccc(Cl)c1-c1noc(C)c1C=1OC(=O)c2c(N=1)cccc2F
InChI:   InChI=1/C18H9Cl2FN2O3/c1-8-13(16(23-26-8)14-9(19)4-2-5-10(14)20)17-22-12-7-3-6-11(21)15(12)18(24)25-17/h2-7H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.0411 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.185 g/mol  logS: -7.63364  SlogP: 5.34462  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.199306  Sterimol/B1: 2.28375  Sterimol/B2: 4.06053  Sterimol/B3: 4.96091
  Sterimol/B4: 9.32766  Sterimol/L: 12.8639 
 
 Surface and Volume Properties
  Accessible surface: 564.296  Positive charged surface: 219.676  Negative charged surface: 344.619  Volume: 312
  Hydrophobic surface: 496.716  Hydrophilic surface: 67.58
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.