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CHEMDIV-ZINC00110891

 MMsINC code: MMs00833385
Type: Neutral
Formula: C18H23NO4
SMILES:   O(C)c1c(OC)cc(cc1OC)CNCc1ccc(OC)cc1
InChI:   InChI=1/C18H23NO4/c1-20-15-7-5-13(6-8-15)11-19-12-14-9-16(21-2)18(23-4)17(10-14)22-3/h5-10,19H,11-12H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.9334 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.385 g/mol  logS: -3.0948  SlogP: 3.5436  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0804424  Sterimol/B1: 2.11206  Sterimol/B2: 5.26274  Sterimol/B3: 5.63572
  Sterimol/B4: 6.53652  Sterimol/L: 18.0309 
 
 Surface and Volume Properties
  Accessible surface: 623.638  Positive charged surface: 508.515  Negative charged surface: 115.123  Volume: 319.25
  Hydrophobic surface: 570.944  Hydrophilic surface: 52.694
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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


MMs00833386
CHEMDIV-ZINC00110891