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CHEMBLOCK-ZINC02491971

 MMsINC code: MMs00532194
Type: Neutral
Formula: C9H13FN2O4
SMILES:   FC1=CN(COCCOCC)C(=O)NC1=O
InChI:   InChI=1/C9H13FN2O4/c1-2-15-3-4-16-6-12-5-7(10)8(13)11-9(12)14/h5H,2-4,6H2,1H3,(H,11,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.4717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.211 g/mol  logS: -1.01429  SlogP: 0.4686  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132669  Sterimol/B1: 2.46811  Sterimol/B2: 3.79614  Sterimol/B3: 3.97439
  Sterimol/B4: 5.86998  Sterimol/L: 12.4656 
 
 Surface and Volume Properties
  Accessible surface: 448.537  Positive charged surface: 304.14  Negative charged surface: 144.397  Volume: 202.5
  Hydrophobic surface: 280.011  Hydrophilic surface: 168.526
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.