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PUBCHEM-ZINC06483759

 MMsINC code: MMs03760054
Type: Neutral
Formula: C19H24N4O6
SMILES:   O(CCCOc1ccc(cc1OC)/C(=N\O)/N)c1ccc(cc1OC)/C(=N\O)/N
InChI:   InChI=1/C19H24N4O6/c1-26-16-10-12(18(20)22-24)4-6-14(16)28-8-3-9-29-15-7-5-13(19(21)23-25)11-17(15)27-2/h4-7,10-11,24-25H,3,8-9H2,1-2H3,(H2,20,22)(H2,21,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=133.664 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.423 g/mol  logS: -3.71719  SlogP: 1.7407  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00433437  Sterimol/B1: 2.37745  Sterimol/B2: 2.39141  Sterimol/B3: 2.55887
  Sterimol/B4: 8.11675  Sterimol/L: 23.6045 
 
 Surface and Volume Properties
  Accessible surface: 723.766  Positive charged surface: 524.316  Negative charged surface: 199.45  Volume: 373.625
  Hydrophobic surface: 435.269  Hydrophilic surface: 288.497
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 1
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Ions/Tautomers related molecules: no related molecules available.