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PUBCHEM-ZINC06973839

 MMsINC code: MMs03908119
Type: Neutral
Formula: C23H30N2O6
SMILES:   O(C)c1cc(OC)c(OC)cc1CN1CCN(CC1)C(=O)COc1ccc(OC)cc1
InChI:   InChI=1/C23H30N2O6/c1-27-18-5-7-19(8-6-18)31-16-23(26)25-11-9-24(10-12-25)15-17-13-21(29-3)22(30-4)14-20(17)28-2/h5-8,13-14H,9-12,15-16H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=169.503 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.501 g/mol  logS: -3.51799  SlogP: 2.7106  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0455467  Sterimol/B1: 3.226  Sterimol/B2: 3.29131  Sterimol/B3: 4.49593
  Sterimol/B4: 9.08777  Sterimol/L: 19.8643 
 
 Surface and Volume Properties
  Accessible surface: 753.138  Positive charged surface: 610.072  Negative charged surface: 143.067  Volume: 413.875
  Hydrophobic surface: 672.775  Hydrophilic surface: 80.363
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 7  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


MMs03908120
PUBCHEM-ZINC06973839