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CHEMBRIDGE-ZINC00440146

 MMsINC code: MMs00615855
Type: Neutral
Formula: C15H11ClO3
SMILES:   Clc1ccc(cc1C)C(=O)c1ccccc1C(O)=O
InChI:   InChI=1/C15H11ClO3/c1-9-8-10(6-7-13(9)16)14(17)11-4-2-3-5-12(11)15(18)19/h2-8H,1H3,(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.1028 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.703 g/mol  logS: -4.32185  SlogP: 3.57762  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140515  Sterimol/B1: 3.42893  Sterimol/B2: 3.8891  Sterimol/B3: 4.77671
  Sterimol/B4: 5.44296  Sterimol/L: 13.4925 
 
 Surface and Volume Properties
  Accessible surface: 465.823  Positive charged surface: 223.75  Negative charged surface: 242.072  Volume: 246.875
  Hydrophobic surface: 362.06  Hydrophilic surface: 103.763
 
 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


MMs00615856
CHEMBRIDGE-ZINC00440146