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CHEMBLOCK-ZINC00463822

 MMsINC code: MMs00504735
Type: Neutral
Formula: C10H9ClO4
SMILES:   Clc1cc(cc(OC)c1OC(=O)C)C=O
InChI:   InChI=1/C10H9ClO4/c1-6(13)15-10-8(11)3-7(5-12)4-9(10)14-2/h3-5H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.9831 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.631 g/mol  logS: -2.52918  SlogP: 2.0864  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0454483  Sterimol/B1: 2.84988  Sterimol/B2: 3.05911  Sterimol/B3: 5.00503
  Sterimol/B4: 5.60982  Sterimol/L: 12.0169 
 
 Surface and Volume Properties
  Accessible surface: 419.474  Positive charged surface: 238.268  Negative charged surface: 181.206  Volume: 195.75
  Hydrophobic surface: 315.586  Hydrophilic surface: 103.888
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: no related molecules available.