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ENAMINE-ZINC02726449

MMsINC code: MMs01286859

Type: Neutral
Formula: C16H14ClFN2O4
SMILES:   Clc1cc(C(=O)NNC(=O)COc2cc(F)ccc2)c(OC)cc1
InChI:   InChI=1/C16H14ClFN2O4/c1-23-14-6-5-10(17)7-13(14)16(22)20-19-15(21)9-24-12-4-2-3-11(18)8-12/h2-8H,9H2,1H3,(H,19,21)(H,20,22)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=101.079 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.749 g/mol  logS: -4.73987  SlogP: 2.3277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00326133  Sterimol/B1: 2.37671  Sterimol/B2: 2.37855  Sterimol/B3: 2.55642
  Sterimol/B4: 8.62001  Sterimol/L: 18.5332 
 
 Surface and Volume Properties
  Accessible surface: 600.094  Positive charged surface: 318.09  Negative charged surface: 282.004  Volume: 300.875
  Hydrophobic surface: 488.466  Hydrophilic surface: 111.628
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.