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PUBCHEM-ZINC03652384

 MMsINC code: MMs03034465
Type: Neutral
Formula: C19H25NO5
SMILES:   O(C)c1c(OC)cc(cc1OC)CCNCCc1cc(O)c(O)cc1
InChI:   InChI=1/C19H25NO5/c1-23-17-11-14(12-18(24-2)19(17)25-3)7-9-20-8-6-13-4-5-15(21)16(22)10-13/h4-5,10-12,20-22H,6-9H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.07 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.411 g/mol  logS: -2.44346  SlogP: 2.49834  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0444944  Sterimol/B1: 2.37252  Sterimol/B2: 3.52762  Sterimol/B3: 3.90931
  Sterimol/B4: 9.48053  Sterimol/L: 19.8712 
 
 Surface and Volume Properties
  Accessible surface: 666.726  Positive charged surface: 525.567  Negative charged surface: 141.159  Volume: 343.375
  Hydrophobic surface: 530.438  Hydrophilic surface: 136.288
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03034466
PUBCHEM-ZINC03652384