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OAKWOOD-ZINC01259576

 MMsINC code: MMs02543170
Type: Neutral
Formula: C15H14O3
SMILES:   O(C)c1ccc(cc1)-c1cc(ccc1)CC(O)=O
InChI:   InChI=1/C15H14O3/c1-18-14-7-5-12(6-8-14)13-4-2-3-11(9-13)10-15(16)17/h2-9H,10H2,1H3,(H,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.3951 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.274 g/mol  logS: -3.89251  SlogP: 2.98927  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0316671  Sterimol/B1: 2.80475  Sterimol/B2: 3.09063  Sterimol/B3: 3.3839
  Sterimol/B4: 6.29273  Sterimol/L: 14.7836 
 
 Surface and Volume Properties
  Accessible surface: 475.297  Positive charged surface: 287.843  Negative charged surface: 176.637  Volume: 238.5
  Hydrophobic surface: 370.579  Hydrophilic surface: 104.718
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs02543171
OAKWOOD-ZINC01259576