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PUBCHEM-ZINC05820688

 MMsINC code: MMs03399660
Type: Neutral
Formula: C10H14FN3O3
SMILES:   FC1=CN(C(=O)NCCCCC)C(=O)NC1=O
InChI:   InChI=1/C10H14FN3O3/c1-2-3-4-5-12-9(16)14-6-7(11)8(15)13-10(14)17/h6H,2-5H2,1H3,(H,12,16)(H,13,15,17)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.69346 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.238 g/mol  logS: -2.48425  SlogP: 1.3578  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.017345  Sterimol/B1: 2.38616  Sterimol/B2: 2.48998  Sterimol/B3: 4.20602
  Sterimol/B4: 4.3041  Sterimol/L: 16.1593 
 
 Surface and Volume Properties
  Accessible surface: 455.845  Positive charged surface: 280.353  Negative charged surface: 175.492  Volume: 212.625
  Hydrophobic surface: 269.792  Hydrophilic surface: 186.053
 
 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.