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AURORAFEINCHEMIE-ZINC06732201

 MMsINC code: MMs00480237
Type: Neutral
Formula: C10H6Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1C1=NN=C(C1)C(O)=O
InChI:   InChI=1/C10H6Cl2N2O2/c11-5-1-2-6(7(12)3-5)8-4-9(10(15)16)14-13-8/h1-3H,4H2,(H,15,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.9234 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.076 g/mol  logS: -3.81778  SlogP: 2.6268  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00731158  Sterimol/B1: 2.37512  Sterimol/B2: 2.39006  Sterimol/B3: 2.4878
  Sterimol/B4: 6.25624  Sterimol/L: 14.8854 
 
 Surface and Volume Properties
  Accessible surface: 420.771  Positive charged surface: 164.714  Negative charged surface: 256.057  Volume: 204
  Hydrophobic surface: 272.306  Hydrophilic surface: 148.465
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00480238
AURORAFEINCHEMIE-ZINC06732201