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NCID-ZINC01852049

 MMsINC code: MMs02371700
Type: Neutral
Formula: C10H7Cl2NO2
SMILES:   Clc1c2c([nH]cc2CC(O)=O)cc(Cl)c1
InChI:   InChI=1/C10H7Cl2NO2/c11-6-2-7(12)10-5(1-9(14)15)4-13-8(10)3-6/h2-4,13H,1H2,(H,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.9415 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.077 g/mol  logS: -3.17423  SlogP: 3.10177  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0771285  Sterimol/B1: 3.09244  Sterimol/B2: 3.14555  Sterimol/B3: 3.73887
  Sterimol/B4: 5.23564  Sterimol/L: 12.5894 
 
 Surface and Volume Properties
  Accessible surface: 400.8  Positive charged surface: 167.239  Negative charged surface: 229.704  Volume: 195.375
  Hydrophobic surface: 267.376  Hydrophilic surface: 133.424
 
 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


MMs02371701
NCID-ZINC01852049