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PEAKDALE-ZINC01741458

 MMsINC code: MMs02615090
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-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.9932 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: 0.0625593  Sterimol/B1: 2.31322  Sterimol/B2: 2.91861  Sterimol/B3: 6.30052
  Sterimol/B4: 9.28399  Sterimol/L: 19.9814 
 
 Surface and Volume Properties
  Accessible surface: 697.345  Positive charged surface: 528.815  Negative charged surface: 168.529  Volume: 352.625
  Hydrophobic surface: 578.019  Hydrophilic surface: 119.326
 
 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.