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ENAMINE-ZINC03516907

 MMsINC code: MMs01486628
Type: Neutral
Formula: C17H26N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC2CCCC2)C(=O)NC1C1CCCCC1
InChI:   InChI=1/C17H26N4O4/c22-13(19-16(24)18-12-8-4-5-9-12)10-21-15(23)14(20-17(21)25)11-6-2-1-3-7-11/h11-12,14H,1-10H2,(H,20,25)(H2,18,19,22,24)/t14-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.71262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.419 g/mol  logS: -3.56588  SlogP: 1.2555  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0295089  Sterimol/B1: 2.92313  Sterimol/B2: 3.43429  Sterimol/B3: 3.86859
  Sterimol/B4: 5.29153  Sterimol/L: 19.99 
 
 Surface and Volume Properties
  Accessible surface: 618.561  Positive charged surface: 453.117  Negative charged surface: 165.444  Volume: 331.5
  Hydrophobic surface: 432.889  Hydrophilic surface: 185.672
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.