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PUBCHEM-ZINC05491037

MMsINC code: MMs03285497

Type: Neutral
Formula: C19H16O2
SMILES:   Oc1ccc(cc1Cc1ccccc1O)-c1ccccc1
InChI:   InChI=1/C19H16O2/c20-18-9-5-4-8-16(18)13-17-12-15(10-11-19(17)21)14-6-2-1-3-7-14/h1-12,20-21H,13H2

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=101.601 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.335 g/mol  logS: -4.89029  SlogP: 4.35557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0834719  Sterimol/B1: 3.36509  Sterimol/B2: 3.85786  Sterimol/B3: 3.85837
  Sterimol/B4: 6.24343  Sterimol/L: 14.6747 
 
 Surface and Volume Properties
  Accessible surface: 515.473  Positive charged surface: 282.644  Negative charged surface: 221.758  Volume: 278.375
  Hydrophobic surface: 455.98  Hydrophilic surface: 59.493
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.