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PEAKDALE-ZINC01741454

 MMsINC code: MMs02615089
Type: Neutral
Formula: C19H23N3O5
SMILES:   O1CCCC1CNC(=O)c1ccc(OCc2nc(OC)cc(OC)n2)cc1
InChI:   InChI=1/C19H23N3O5/c1-24-17-10-18(25-2)22-16(21-17)12-27-14-7-5-13(6-8-14)19(23)20-11-15-4-3-9-26-15/h5-8,10,15H,3-4,9,11-12H2,1-2H3,(H,20,23)/t15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.6488 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.409 g/mol  logS: -3.50227  SlogP: 2.248  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0589184  Sterimol/B1: 2.37198  Sterimol/B2: 4.53153  Sterimol/B3: 4.5908
  Sterimol/B4: 9.22583  Sterimol/L: 20.2007 
 
 Surface and Volume Properties
  Accessible surface: 698.432  Positive charged surface: 529.213  Negative charged surface: 169.22  Volume: 352.5
  Hydrophobic surface: 580.506  Hydrophilic surface: 117.926
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.