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NCID-ZINC05277758

 MMsINC code: MMs02450858
Type: Neutral
Formula: C19H27NO9
SMILES:   O1CCOCCOCCOCCOCCOCCOC(=O)c2nc(ccc2)C1=O
InChI:   InChI=1/C19H27NO9/c21-18-16-2-1-3-17(20-16)19(22)29-15-13-27-11-9-25-7-5-23-4-6-24-8-10-26-12-14-28-18/h1-3H,4-15H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=153.496 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.423 g/mol  logS: -2.05808  SlogP: 0.4918  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0319373  Sterimol/B1: 2.86225  Sterimol/B2: 2.93505  Sterimol/B3: 6.63444
  Sterimol/B4: 7.42869  Sterimol/L: 17.1798 
 
 Surface and Volume Properties
  Accessible surface: 720.823  Positive charged surface: 581.444  Negative charged surface: 139.379  Volume: 381.625
  Hydrophobic surface: 592.82  Hydrophilic surface: 128.003
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 8  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: 0
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Ions/Tautomers related molecules: no related molecules available.