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ENAMINE-ZINC03285529

 MMsINC code: MMs01350373
Type: Neutral
Formula: C15H10Cl2F2N2O4
SMILES:   Clc1cc(cnc1Cl)C(OCC(=O)Nc1ccccc1OC(F)F)=O
InChI:   InChI=1/C15H10Cl2F2N2O4/c16-9-5-8(6-20-13(9)17)14(23)24-7-12(22)21-10-3-1-2-4-11(10)25-15(18)19/h1-6,15H,7H2,(H,21,22)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.6611 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.157 g/mol  logS: -4.41899  SlogP: 4.2052  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0147934  Sterimol/B1: 2.53646  Sterimol/B2: 2.54415  Sterimol/B3: 3.6167
  Sterimol/B4: 7.06461  Sterimol/L: 18.277 
 
 Surface and Volume Properties
  Accessible surface: 592.091  Positive charged surface: 268.12  Negative charged surface: 323.97  Volume: 300
  Hydrophobic surface: 405.58  Hydrophilic surface: 186.511
 
 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.