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ENAMINE-ZINC03516631

 MMsINC code: MMs01486463
Type: Neutral
Formula: C17H26N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC2CCCC2)C(=O)NC12CCCCCC2
InChI:   InChI=1/C17H26N4O4/c22-13(19-15(24)18-12-7-3-4-8-12)11-21-14(23)17(20-16(21)25)9-5-1-2-6-10-17/h12H,1-11H2,(H,20,25)(H2,18,19,22,24)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.5416 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.419 g/mol  logS: -3.37787  SlogP: 1.3996  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0427656  Sterimol/B1: 3.14921  Sterimol/B2: 3.69495  Sterimol/B3: 3.85319
  Sterimol/B4: 5.13427  Sterimol/L: 19.1102 
 
 Surface and Volume Properties
  Accessible surface: 607.048  Positive charged surface: 433.94  Negative charged surface: 173.109  Volume: 328.5
  Hydrophobic surface: 429.371  Hydrophilic surface: 177.677
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.