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PUBCHEM-ZINC05412897

 MMsINC code: MMs03261074
Type: Neutral
Formula: C19H16O3
SMILES:   o1c2c(cc(cc2)\C=C\C)c(C)c1-c1cc2OCOc2cc1
InChI:   InChI=1/C19H16O3/c1-3-4-13-5-7-16-15(9-13)12(2)19(22-16)14-6-8-17-18(10-14)21-11-20-17/h3-10H,11H2,1-2H3/b4-3+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.866 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.334 g/mol  logS: -6.76805  SlogP: 5.17002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0195545  Sterimol/B1: 2.67636  Sterimol/B2: 3.10333  Sterimol/B3: 4.30136
  Sterimol/B4: 4.5161  Sterimol/L: 18.7787 
 
 Surface and Volume Properties
  Accessible surface: 551.224  Positive charged surface: 336.165  Negative charged surface: 209.387  Volume: 288
  Hydrophobic surface: 471.954  Hydrophilic surface: 79.27
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.