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PUBCHEM-ZINC02494367

 MMsINC code: MMs02889524
Type: Neutral
Formula: C17H26N4O4
SMILES:   O=C1NC(=O)NC1CC(=O)NC1(CCCCC1)C(=O)NC1CCCC1
InChI:   InChI=1/C17H26N4O4/c22-13(10-12-14(23)20-16(25)19-12)21-17(8-4-1-5-9-17)15(24)18-11-6-2-3-7-11/h11-12H,1-10H2,(H,18,24)(H,21,22)(H2,19,20,23,25)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=30.0844 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.419 g/mol  logS: -2.7946  SlogP: 0.4624  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138171  Sterimol/B1: 2.12671  Sterimol/B2: 3.18725  Sterimol/B3: 4.09653
  Sterimol/B4: 10.0347  Sterimol/L: 14.9513 
 
 Surface and Volume Properties
  Accessible surface: 582.68  Positive charged surface: 404.05  Negative charged surface: 178.631  Volume: 329
  Hydrophobic surface: 388.879  Hydrophilic surface: 193.801
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.