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NIH-ZINC04278467

 MMsINC code: MMs02533803
Type: Neutral
Formula: C15H14O4
SMILES:   O(Cc1ccc(cc1)C(O)=O)c1cc(ccc1)CO
InChI:   InChI=1/C15H14O4/c16-9-12-2-1-3-14(8-12)19-10-11-4-6-13(7-5-11)15(17)18/h1-8,16H,9-10H2,(H,17,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.0165 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.273 g/mol  logS: -2.94358  SlogP: 2.9889  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0592475  Sterimol/B1: 2.50681  Sterimol/B2: 3.54077  Sterimol/B3: 3.69289
  Sterimol/B4: 5.94985  Sterimol/L: 16.1956 
 
 Surface and Volume Properties
  Accessible surface: 504.154  Positive charged surface: 300.555  Negative charged surface: 203.599  Volume: 245.125
  Hydrophobic surface: 335.622  Hydrophilic surface: 168.532
 
 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


MMs02533804
NIH-ZINC04278467