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APOLLO-ZINC01542916

 MMsINC code: MMs00049440
Type: Neutral
Formula: C11H16FN3O3
SMILES:   FC1=CN(C(=O)NCCCCCC)C(=O)NC1=O
InChI:   InChI=1/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.60871 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.265 g/mol  logS: -2.99947  SlogP: 1.7479  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.01604  Sterimol/B1: 2.38646  Sterimol/B2: 2.4886  Sterimol/B3: 3.78188
  Sterimol/B4: 4.74671  Sterimol/L: 17.4117 
 
 Surface and Volume Properties
  Accessible surface: 486.242  Positive charged surface: 305.448  Negative charged surface: 180.794  Volume: 229.875
  Hydrophobic surface: 299.858  Hydrophilic surface: 186.384
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.