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PUBCHEM-ZINC03748400

 MMsINC code: MMs03068885
Type: Neutral
Formula: C15H9Cl2NO2
SMILES:   Clc1ccc(Cl)cc1-c1cn2c(C=CC=C2)c1C(O)=O
InChI:   InChI=1/C15H9Cl2NO2/c16-9-4-5-12(17)10(7-9)11-8-18-6-2-1-3-13(18)14(11)15(19)20/h1-8H,(H,19,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.8232 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.148 g/mol  logS: -4.64018  SlogP: 4.6576  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0815669  Sterimol/B1: 3.76276  Sterimol/B2: 4.27414  Sterimol/B3: 4.43931
  Sterimol/B4: 4.99141  Sterimol/L: 13.8414 
 
 Surface and Volume Properties
  Accessible surface: 491.68  Positive charged surface: 191.596  Negative charged surface: 300.084  Volume: 258.5
  Hydrophobic surface: 404.36  Hydrophilic surface: 87.32
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs03068886
PUBCHEM-ZINC03748400