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APOLLO-ZINC00163657

 MMsINC code: MMs00047256
Type: Neutral
Formula: C15H14O4
SMILES:   O(C)c1ccc(cc1)CC(=O)c1ccc(O)cc1O
InChI:   InChI=1/C15H14O4/c1-19-12-5-2-10(3-6-12)8-14(17)13-7-4-11(16)9-15(13)18/h2-7,9,16,18H,8H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.7771 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.273 g/mol  logS: -2.84564  SlogP: 2.53177  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0583877  Sterimol/B1: 3.01144  Sterimol/B2: 3.68371  Sterimol/B3: 4.08524
  Sterimol/B4: 4.35824  Sterimol/L: 16.8687 
 
 Surface and Volume Properties
  Accessible surface: 495.851  Positive charged surface: 324.933  Negative charged surface: 170.918  Volume: 245.875
  Hydrophobic surface: 369.475  Hydrophilic surface: 126.376
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.