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PUBCHEM-ZINC02494370

 MMsINC code: MMs02889525
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-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.258 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: 0.172021  Sterimol/B1: 2.35476  Sterimol/B2: 3.58389  Sterimol/B3: 3.70582
  Sterimol/B4: 10.2246  Sterimol/L: 12.8501 
 
 Surface and Volume Properties
  Accessible surface: 574.754  Positive charged surface: 399.572  Negative charged surface: 175.182  Volume: 330
  Hydrophobic surface: 384.052  Hydrophilic surface: 190.702
 
 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.