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OAKWOOD-ZINC02574077

 MMsINC code: MMs02546518
Type: Neutral
Formula: C15H14O4
SMILES:   O(C)c1cc(ccc1OC)-c1cc(ccc1)C(O)=O
InChI:   InChI=1/C15H14O4/c1-18-13-7-6-11(9-14(13)19-2)10-4-3-5-12(8-10)15(16)17/h3-9H,1-2H3,(H,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.3732 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.273 g/mol  logS: -3.88142  SlogP: 3.069  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00835257  Sterimol/B1: 2.16207  Sterimol/B2: 2.3734  Sterimol/B3: 2.38173
  Sterimol/B4: 7.52793  Sterimol/L: 14.9569 
 
 Surface and Volume Properties
  Accessible surface: 491.862  Positive charged surface: 314.591  Negative charged surface: 165.343  Volume: 246.125
  Hydrophobic surface: 378.64  Hydrophilic surface: 113.222
 
 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


MMs02546519
OAKWOOD-ZINC02574077