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ACROSORGANICS-ZINC03874879

MMsINC code: MMs00016223

Type: Neutral
Formula: C19H14O3
SMILES:   Oc1ccc(cc1)C(c1ccc(O)cc1)=C1C=CC(=O)C=C1
InChI:   InChI=1/C19H14O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20-21H

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=90.055 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.318 g/mol  logS: -4.73272  SlogP: 3.41209  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.151579  Sterimol/B1: 2.6305  Sterimol/B2: 4.34874  Sterimol/B3: 4.57404
  Sterimol/B4: 7.79345  Sterimol/L: 13.2181 
 
 Surface and Volume Properties
  Accessible surface: 518.965  Positive charged surface: 282.377  Negative charged surface: 232.857  Volume: 279.375
  Hydrophobic surface: 366.343  Hydrophilic surface: 152.622
 
 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: no related molecules available.