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ASINEX-ZINC02506905

 MMsINC code: MMs00274064
Type: Neutral
Formula: C10H7ClO4
SMILES:   Clc1cc(OC)c2oc(cc2c1)C(O)=O
InChI:   InChI=1/C10H7ClO4/c1-14-7-4-6(11)2-5-3-8(10(12)13)15-9(5)7/h2-4H,1H3,(H,12,13)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.7808 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.615 g/mol  logS: -3.7372  SlogP: 2.793  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00937051  Sterimol/B1: 2.37284  Sterimol/B2: 2.37724  Sterimol/B3: 2.55718
  Sterimol/B4: 7.18926  Sterimol/L: 11.4335 
 
 Surface and Volume Properties
  Accessible surface: 405.286  Positive charged surface: 213.262  Negative charged surface: 186.201  Volume: 186
  Hydrophobic surface: 280.652  Hydrophilic surface: 124.634
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00274065
ASINEX-ZINC02506905