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CHEMBRIDGE-ZINC00467700

 MMsINC code: MMs00625483
Type: Ionized
Formula: C10H8Cl2NO4-
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)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.1753 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.083 g/mol  logS: -2.71373  SlogP: 1.1676  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.010514  Sterimol/B1: 2.36959  Sterimol/B2: 2.37221  Sterimol/B3: 3.25021
  Sterimol/B4: 6.22101  Sterimol/L: 15.0391 
 
 Surface and Volume Properties
  Accessible surface: 458.363  Positive charged surface: 182.702  Negative charged surface: 275.661  Volume: 218.125
  Hydrophobic surface: 281.516  Hydrophilic surface: 176.847
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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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MMs00625482
CHEMBRIDGE-ZINC00467700