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NCID-ZINC01705025

 MMsINC code: MMs02333673
Type: Neutral
Formula: C11H10ClNO2
SMILES:   Clc1cc2[nH]c(C)c(c2cc1)CC(O)=O
InChI:   InChI=1/C11H10ClNO2/c1-6-9(5-11(14)15)8-3-2-7(12)4-10(8)13-6/h2-4,13H,5H2,1H3,(H,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.4043 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.659 g/mol  logS: -2.75333  SlogP: 2.75679  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0789853  Sterimol/B1: 2.31428  Sterimol/B2: 2.69058  Sterimol/B3: 3.51322
  Sterimol/B4: 6.28537  Sterimol/L: 12.4031 
 
 Surface and Volume Properties
  Accessible surface: 411.531  Positive charged surface: 205.919  Negative charged surface: 201.751  Volume: 199.375
  Hydrophobic surface: 296.898  Hydrophilic surface: 114.633
 
 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


MMs02333674
NCID-ZINC01705025