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APOLLO-ZINC03979037

 MMsINC code: MMs00056661
Type: Neutral
Formula: C13H8O3
SMILES:   O1c2c(cc(O)cc2)C(=O)c2c1cccc2
InChI:   InChI=1/C13H8O3/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7,14H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.0132 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.204 g/mol  logS: -3.64469  SlogP: 2.7289  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0100983  Sterimol/B1: 2.12095  Sterimol/B2: 2.54046  Sterimol/B3: 3.6541
  Sterimol/B4: 4.8635  Sterimol/L: 12.6722 
 
 Surface and Volume Properties
  Accessible surface: 396.493  Positive charged surface: 214.753  Negative charged surface: 181.74  Volume: 192.25
  Hydrophobic surface: 307.72  Hydrophilic surface: 88.773
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.