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OAKWOOD-ZINC01259047

 MMsINC code: MMs02543164
Type: Neutral
Formula: C15H14O3
SMILES:   O(C)c1ccc(cc1)-c1ccc(cc1)CC(O)=O
InChI:   InChI=1/C15H14O3/c1-18-14-8-6-13(7-9-14)12-4-2-11(3-5-12)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)=70.2052 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: 0.0280965  Sterimol/B1: 2.92941  Sterimol/B2: 3.02673  Sterimol/B3: 3.23408
  Sterimol/B4: 4.71606  Sterimol/L: 16.8426 
 
 Surface and Volume Properties
  Accessible surface: 480.849  Positive charged surface: 290.381  Negative charged surface: 178.814  Volume: 238.75
  Hydrophobic surface: 376.126  Hydrophilic surface: 104.723
 
 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


MMs02543165
OAKWOOD-ZINC01259047