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PUBCHEM-ZINC06349717

 MMsINC code: MMs03679728
Type: Neutral
Formula: C17H27N3O5
SMILES:   O=C1N(CC(=O)NCCCC(OCC)=O)C(=O)NC1C1CCCCC1
InChI:   InChI=1/C17H27N3O5/c1-2-25-14(22)9-6-10-18-13(21)11-20-16(23)15(19-17(20)24)12-7-4-3-5-8-12/h12,15H,2-11H2,1H3,(H,18,21)(H,19,24)/t15-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.8936 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.419 g/mol  logS: -3.2005  SlogP: 0.9466  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0345853  Sterimol/B1: 3.08623  Sterimol/B2: 3.24697  Sterimol/B3: 4.23387
  Sterimol/B4: 6.58769  Sterimol/L: 20.7325 
 
 Surface and Volume Properties
  Accessible surface: 647.499  Positive charged surface: 479.855  Negative charged surface: 167.644  Volume: 339.625
  Hydrophobic surface: 444.406  Hydrophilic surface: 203.093
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.