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ENAMINE-ZINC03388765

 MMsINC code: MMs01412324
Type: Neutral
Formula: C16H13Cl2NO4
SMILES:   Clc1ccc(Cl)cc1NC(=O)COC(=O)COc1ccccc1
InChI:   InChI=1/C16H13Cl2NO4/c17-11-6-7-13(18)14(8-11)19-15(20)9-23-16(21)10-22-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,19,20)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.9196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.189 g/mol  logS: -5.30844  SlogP: 3.5541  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0101921  Sterimol/B1: 2.75435  Sterimol/B2: 3.09632  Sterimol/B3: 4.53221
  Sterimol/B4: 5.53849  Sterimol/L: 19.2348 
 
 Surface and Volume Properties
  Accessible surface: 603.743  Positive charged surface: 277.747  Negative charged surface: 325.996  Volume: 301.125
  Hydrophobic surface: 509.917  Hydrophilic surface: 93.826
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.