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CHEMBLOCK-ZINC00032509

 MMsINC code: MMs00485708
Type: Ionized
Formula: C11H7Cl2N2O3-
SMILES:   Clc1cc(Cl)ccc1-c1nc(on1)CCC(=O)[O-]
InChI:   InChI=1/C11H8Cl2N2O3/c12-6-1-2-7(8(13)5-6)11-14-9(18-15-11)3-4-10(16)17/h1-2,5H,3-4H2,(H,16,17)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.0002 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.094 g/mol  logS: -4.82555  SlogP: 1.72587  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0294127  Sterimol/B1: 2.84052  Sterimol/B2: 3.02763  Sterimol/B3: 3.04117
  Sterimol/B4: 5.42994  Sterimol/L: 16.0369 
 
 Surface and Volume Properties
  Accessible surface: 467.556  Positive charged surface: 175.537  Negative charged surface: 292.019  Volume: 226.125
  Hydrophobic surface: 324.47  Hydrophilic surface: 143.086
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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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Parent related molecule:


MMs00485707
CHEMBLOCK-ZINC00032509