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ENAMINE-ZINC03391256

 MMsINC code: MMs01413623
Type: Neutral
Formula: C17H14Cl2N2O4
SMILES:   Clc1cc(Cl)cnc1NC(=O)COC(=O)\C=C\c1ccc(OC)cc1
InChI:   InChI=1/C17H14Cl2N2O4/c1-24-13-5-2-11(3-6-13)4-7-16(23)25-10-15(22)21-17-14(19)8-12(18)9-20-17/h2-9H,10H2,1H3,(H,20,21,22)/b7-4+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.1249 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.215 g/mol  logS: -4.84094  SlogP: 3.5921  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00265877  Sterimol/B1: 2.37467  Sterimol/B2: 2.37726  Sterimol/B3: 2.87471
  Sterimol/B4: 6.71618  Sterimol/L: 21.0992 
 
 Surface and Volume Properties
  Accessible surface: 647.836  Positive charged surface: 341.19  Negative charged surface: 306.646  Volume: 326.5
  Hydrophobic surface: 537.152  Hydrophilic surface: 110.684
 
 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.