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CHEMBRIDGE-ZINC04826767

 MMsINC code: MMs00794147
Type: Neutral
Formula: C14H9Cl2NO4
SMILES:   Clc1cc(Cl)ccc1C(=O)Nc1ccc(O)cc1C(O)=O
InChI:   InChI=1/C14H9Cl2NO4/c15-7-1-3-9(11(16)5-7)13(19)17-12-4-2-8(18)6-10(12)14(20)21/h1-6,18H,(H,17,19)(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.3948 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.135 g/mol  logS: -4.4309  SlogP: 3.6495  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0159683  Sterimol/B1: 2.34896  Sterimol/B2: 3.08272  Sterimol/B3: 3.23282
  Sterimol/B4: 7.23299  Sterimol/L: 15.8971 
 
 Surface and Volume Properties
  Accessible surface: 508.841  Positive charged surface: 224.198  Negative charged surface: 284.643  Volume: 261
  Hydrophobic surface: 352.28  Hydrophilic surface: 156.561
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs00794148
CHEMBRIDGE-ZINC04826767