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CHEMDIV-ZINC04992279

 MMsINC code: MMs00977304
Type: Neutral
Formula: C18H16Cl2N2O3
SMILES:   Clc1cc(Cl)ccc1NC(=O)c1c2c(CN(CCOC)C2=O)ccc1
InChI:   InChI=1/C18H16Cl2N2O3/c1-25-8-7-22-10-11-3-2-4-13(16(11)18(22)24)17(23)21-15-6-5-12(19)9-14(15)20/h2-6,9H,7-8,10H2,1H3,(H,21,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.9095 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.243 g/mol  logS: -5.12863  SlogP: 4.1143  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0596339  Sterimol/B1: 2.18579  Sterimol/B2: 2.24442  Sterimol/B3: 5.06167
  Sterimol/B4: 9.32184  Sterimol/L: 15.7331 
 
 Surface and Volume Properties
  Accessible surface: 609.267  Positive charged surface: 357.634  Negative charged surface: 251.633  Volume: 328.625
  Hydrophobic surface: 555.009  Hydrophilic surface: 54.258
 
 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.