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ENAMINE-ZINC03434892

 MMsINC code: MMs01440028
Type: Neutral
Formula: C18H12Cl2N2O5
SMILES:   Clc1cccc(Cl)c1NC(=O)COC(=O)CN1C(=O)c2c(cccc2)C1=O
InChI:   InChI=1/C18H12Cl2N2O5/c19-12-6-3-7-13(20)16(12)21-14(23)9-27-15(24)8-22-17(25)10-4-1-2-5-11(10)18(22)26/h1-7H,8-9H2,(H,21,23)

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Potential Energy
Epot(MMFF94)=89.6052 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.209 g/mol  logS: -5.80791  SlogP: 2.7713  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0272754  Sterimol/B1: 2.52005  Sterimol/B2: 4.15624  Sterimol/B3: 4.32364
  Sterimol/B4: 5.33872  Sterimol/L: 20.1026 
 
 Surface and Volume Properties
  Accessible surface: 632.313  Positive charged surface: 288.536  Negative charged surface: 343.777  Volume: 331.75
  Hydrophobic surface: 472.09  Hydrophilic surface: 160.223
 
 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.