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ENAMINE-ZINC04524880

 MMsINC code: MMs01546021
Type: Neutral
Formula: C20H18O6
SMILES:   o1c2c(cc(OC)cc2)c(C)c1C(OCC(=O)c1ccc(OC)cc1)=O
InChI:   InChI=1/C20H18O6/c1-12-16-10-15(24-3)8-9-18(16)26-19(12)20(22)25-11-17(21)13-4-6-14(23-2)7-5-13/h4-10H,11H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.5134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.358 g/mol  logS: -5.72534  SlogP: 3.79812  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00445493  Sterimol/B1: 1.969  Sterimol/B2: 2.3906  Sterimol/B3: 2.51144
  Sterimol/B4: 7.43033  Sterimol/L: 22.6063 
 
 Surface and Volume Properties
  Accessible surface: 634.636  Positive charged surface: 418.538  Negative charged surface: 210.171  Volume: 330.25
  Hydrophobic surface: 531.023  Hydrophilic surface: 103.613
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.