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CHEMDIV-ZINC00116884

 MMsINC code: MMs00833672
Type: Neutral
Formula: C16H12O4
SMILES:   o1c2c(cc(OC)cc2)c(C(O)=O)c1-c1ccccc1
InChI:   InChI=1/C16H12O4/c1-19-11-7-8-13-12(9-11)14(16(17)18)15(20-13)10-5-3-2-4-6-10/h2-9H,1H3,(H,17,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.7835 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.268 g/mol  logS: -5.24517  SlogP: 3.8066  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0111041  Sterimol/B1: 2.77151  Sterimol/B2: 2.96813  Sterimol/B3: 4.43568
  Sterimol/B4: 4.9779  Sterimol/L: 16.1079 
 
 Surface and Volume Properties
  Accessible surface: 488.904  Positive charged surface: 282.969  Negative charged surface: 199.713  Volume: 248.375
  Hydrophobic surface: 393.199  Hydrophilic surface: 95.705
 
 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


MMs00833673
CHEMDIV-ZINC00116884