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PUBCHEM-ZINC01926255

 MMsINC code: MMs02830793
Type: Neutral
Formula: C15H12O4
SMILES:   OC(=O)c1ccccc1C(=O)c1ccc(cc1)CO
InChI:   InChI=1/C15H12O4/c16-9-10-5-7-11(8-6-10)14(17)12-3-1-2-4-13(12)15(18)19/h1-8,16H,9H2,(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.3273 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.257 g/mol  logS: -3.19811  SlogP: 2.3745  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155138  Sterimol/B1: 2.60189  Sterimol/B2: 2.66111  Sterimol/B3: 5.08988
  Sterimol/B4: 6.77319  Sterimol/L: 13.7275 
 
 Surface and Volume Properties
  Accessible surface: 466.925  Positive charged surface: 267.211  Negative charged surface: 199.714  Volume: 238.75
  Hydrophobic surface: 298.558  Hydrophilic surface: 168.367
 
 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


MMs02830794
PUBCHEM-ZINC01926255