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MICROSOURCE-ZINC01762846

 MMsINC code: MMs02187880
Type: Neutral
Formula: C19H18O6
SMILES:   O1C2C(c3cc(OC)c(OC)cc3OC2)C(=O)c2c1cc(OC)cc2
InChI:   InChI=1/C19H18O6/c1-21-10-4-5-11-14(6-10)25-17-9-24-13-8-16(23-3)15(22-2)7-12(13)18(17)19(11)20/h4-8,17-18H,9H2,1-3H3/t17-,18+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.844 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.347 g/mol  logS: -3.9433  SlogP: 2.8323  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.244524  Sterimol/B1: 2.92983  Sterimol/B2: 5.08468  Sterimol/B3: 6.51225
  Sterimol/B4: 6.62959  Sterimol/L: 15.0385 
 
 Surface and Volume Properties
  Accessible surface: 567.004  Positive charged surface: 436.252  Negative charged surface: 130.752  Volume: 309.75
  Hydrophobic surface: 496.058  Hydrophilic surface: 70.946
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.