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PEAKDALE-ZINC01742424

 MMsINC code: MMs02615325
Type: Neutral
Formula: C19H24N4O4
SMILES:   O1CCN(CC1)CCNC(=O)c1ccc(cc1)-c1nc(OC)cc(OC)n1
InChI:   InChI=1/C19H24N4O4/c1-25-16-13-17(26-2)22-18(21-16)14-3-5-15(6-4-14)19(24)20-7-8-23-9-11-27-12-10-23/h3-6,13H,7-12H2,1-2H3,(H,20,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.7289 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.425 g/mol  logS: -4.03218  SlogP: 1.2228  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0143418  Sterimol/B1: 2.17404  Sterimol/B2: 2.88178  Sterimol/B3: 3.36508
  Sterimol/B4: 9.39114  Sterimol/L: 19.771 
 
 Surface and Volume Properties
  Accessible surface: 673.509  Positive charged surface: 519.826  Negative charged surface: 147.987  Volume: 357.375
  Hydrophobic surface: 559.983  Hydrophilic surface: 113.526
 
 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


MMs02615326
PEAKDALE-ZINC01742424