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ENAMINE-ZINC03388859

 MMsINC code: MMs01412381
Type: Neutral
Formula: C16H13Cl2NO4
SMILES:   Clc1cc(Cl)ccc1NC(=O)COC(=O)COc1ccccc1
InChI:   InChI=1/C16H13Cl2NO4/c17-11-6-7-14(13(18)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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Potential Energy
Epot(MMFF94)=86.1124 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: 0.00986855  Sterimol/B1: 2.80085  Sterimol/B2: 2.94386  Sterimol/B3: 3.32445
  Sterimol/B4: 5.52293  Sterimol/L: 20.3447 
 
 Surface and Volume Properties
  Accessible surface: 602.861  Positive charged surface: 278.554  Negative charged surface: 324.307  Volume: 302.125
  Hydrophobic surface: 509.035  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.