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NCID-ZINC01648153

 MMsINC code: MMs02288425
Type: Neutral
Formula: C14H8Cl2O4
SMILES:   Clc1cc(Cl)cc(C(=O)c2ccccc2C(O)=O)c1O
InChI:   InChI=1/C14H8Cl2O4/c15-7-5-10(13(18)11(16)6-7)12(17)8-3-1-2-4-9(8)14(19)20/h1-6,18H,(H,19,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.0639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.12 g/mol  logS: -4.53372  SlogP: 3.6282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.20573  Sterimol/B1: 2.66213  Sterimol/B2: 4.13219  Sterimol/B3: 4.45334
  Sterimol/B4: 6.29075  Sterimol/L: 13.6153 
 
 Surface and Volume Properties
  Accessible surface: 477.713  Positive charged surface: 192.228  Negative charged surface: 285.485  Volume: 251.5
  Hydrophobic surface: 341.865  Hydrophilic surface: 135.848
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02288426
NCID-ZINC01648153