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CHEMBRIDGE-ZINC02475578

 MMsINC code: MMs00710021
Type: Neutral
Formula: C20H27NO5
SMILES:   O(C)c1c(OC)c(OC)ccc1CNCCc1cc(OC)c(OC)cc1
InChI:   InChI=1/C20H27NO5/c1-22-16-8-6-14(12-18(16)24-3)10-11-21-13-15-7-9-17(23-2)20(26-5)19(15)25-4/h6-9,12,21H,10-11,13H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=125.522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.438 g/mol  logS: -3.20665  SlogP: 3.32827  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0442292  Sterimol/B1: 3.46353  Sterimol/B2: 3.50897  Sterimol/B3: 4.10917
  Sterimol/B4: 7.36113  Sterimol/L: 20.1843 
 
 Surface and Volume Properties
  Accessible surface: 693.475  Positive charged surface: 584.352  Negative charged surface: 109.124  Volume: 365.375
  Hydrophobic surface: 639.508  Hydrophilic surface: 53.967
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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


MMs00710022
CHEMBRIDGE-ZINC02475578