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CHEMBLOCK-ZINC04343251

 MMsINC code: MMs00547916
Type: Ionized
Formula: C11H6Cl2NO2-
SMILES:   Clc1c2c(nc(cc2C(=O)[O-])C)cc(Cl)c1
InChI:   InChI=1/C11H7Cl2NO2/c1-5-2-7(11(15)16)10-8(13)3-6(12)4-9(10)14-5/h2-4H,1H3,(H,15,16)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.7474 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.08 g/mol  logS: -3.98524  SlogP: 2.21352  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0320246  Sterimol/B1: 2.94722  Sterimol/B2: 2.94725  Sterimol/B3: 3.36734
  Sterimol/B4: 6.44219  Sterimol/L: 11.3768 
 
 Surface and Volume Properties
  Accessible surface: 417.859  Positive charged surface: 144.399  Negative charged surface: 267.708  Volume: 203.875
  Hydrophobic surface: 324.937  Hydrophilic surface: 92.922
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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:


MMs00547915
CHEMBLOCK-ZINC04343251