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CHEMBRIDGE-ZINC00467700

 MMsINC code: MMs00625482
Type: Neutral
Formula: C10H9Cl2NO4
SMILES:   Clc1cc(NC(=O)CCC(O)=O)cc(Cl)c1O
InChI:   InChI=1/C10H9Cl2NO4/c11-6-3-5(4-7(12)10(6)17)13-8(14)1-2-9(15)16/h3-4,17H,1-2H2,(H,13,14)(H,15,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.7253 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.091 g/mol  logS: -2.45328  SlogP: 2.5023  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0254855  Sterimol/B1: 2.72796  Sterimol/B2: 2.76258  Sterimol/B3: 2.77726
  Sterimol/B4: 6.38264  Sterimol/L: 15.0356 
 
 Surface and Volume Properties
  Accessible surface: 464.35  Positive charged surface: 220.039  Negative charged surface: 244.312  Volume: 218.625
  Hydrophobic surface: 283.062  Hydrophilic surface: 181.288
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00625483
CHEMBRIDGE-ZINC00467700