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PUBCHEM-ZINC02525374

 MMsINC code: MMs02893498
Type: Neutral
Formula: C18H27N3O5
SMILES:   O(C(C)(C)C)C(=O)N(Cc1ccc(cc1)/C(=N\O)/N)C(OC(C)(C)C)=O
InChI:   InChI=1/C18H27N3O5/c1-17(2,3)25-15(22)21(16(23)26-18(4,5)6)11-12-7-9-13(10-8-12)14(19)20-24/h7-10,24H,11H2,1-6H3,(H2,19,20)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.0914 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.43 g/mol  logS: -3.99657  SlogP: 3.7197  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146282  Sterimol/B1: 2.44901  Sterimol/B2: 3.60784  Sterimol/B3: 4.53424
  Sterimol/B4: 8.9557  Sterimol/L: 15.1582 
 
 Surface and Volume Properties
  Accessible surface: 629.612  Positive charged surface: 419.785  Negative charged surface: 209.827  Volume: 355
  Hydrophobic surface: 368.408  Hydrophilic surface: 261.204
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.