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ENAMINE-ZINC03234836

 MMsINC code: MMs01321099
Type: Neutral
Formula: C15H10Cl2N2O5
SMILES:   Clc1cc(cnc1Cl)C(OCC(=O)Nc1cc2OCOc2cc1)=O
InChI:   InChI=1/C15H10Cl2N2O5/c16-10-3-8(5-18-14(10)17)15(21)22-6-13(20)19-9-1-2-11-12(4-9)24-7-23-11/h1-5H,6-7H2,(H,19,20)

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Potential Energy
Epot(MMFF94)=91.9215 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.16 g/mol  logS: -4.23984  SlogP: 2.9126  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0120109  Sterimol/B1: 2.097  Sterimol/B2: 3.3635  Sterimol/B3: 3.80172
  Sterimol/B4: 4.72912  Sterimol/L: 19.9955 
 
 Surface and Volume Properties
  Accessible surface: 582.449  Positive charged surface: 300.789  Negative charged surface: 281.66  Volume: 294.375
  Hydrophobic surface: 418.642  Hydrophilic surface: 163.807
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.