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PUBCHEM-ZINC02569322

 MMsINC code: MMs02902465
Type: Neutral
Formula: C13H9Cl2NO2
SMILES:   Clc1cccc(Cl)c1Nc1ccccc1C(O)=O
InChI:   InChI=1/C13H9Cl2NO2/c14-9-5-3-6-10(15)12(9)16-11-7-2-1-4-8(11)13(17)18/h1-7,16H,(H,17,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.989 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.126 g/mol  logS: -4.44318  SlogP: 4.4352  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.205718  Sterimol/B1: 3.62824  Sterimol/B2: 3.64082  Sterimol/B3: 5.24419
  Sterimol/B4: 5.48477  Sterimol/L: 12.1523 
 
 Surface and Volume Properties
  Accessible surface: 438.842  Positive charged surface: 215.519  Negative charged surface: 223.323  Volume: 233.625
  Hydrophobic surface: 355.278  Hydrophilic surface: 83.564
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02902466
PUBCHEM-ZINC02569322