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ENAMINE-ZINC03273437

 MMsINC code: MMs01343975
Type: Neutral
Formula: C15H11ClF2N2O4
SMILES:   Clc1ncccc1C(OCC(=O)Nc1ccccc1OC(F)F)=O
InChI:   InChI=1/C15H11ClF2N2O4/c16-13-9(4-3-7-19-13)14(22)23-8-12(21)20-10-5-1-2-6-11(10)24-15(17)18/h1-7,15H,8H2,(H,20,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.0387 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.712 g/mol  logS: -3.6847  SlogP: 3.5518  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0168003  Sterimol/B1: 2.44416  Sterimol/B2: 2.53543  Sterimol/B3: 3.73668
  Sterimol/B4: 7.36077  Sterimol/L: 17.2316 
 
 Surface and Volume Properties
  Accessible surface: 559.643  Positive charged surface: 289.484  Negative charged surface: 270.159  Volume: 284.375
  Hydrophobic surface: 384.58  Hydrophilic surface: 175.063
 
 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.