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MAYBRIDGE-ZINC03127559

 MMsINC code: MMs02160931
Type: Neutral
Formula: C19H13Cl2N3O3
SMILES:   Clc1ccc(NC(=O)NC(=O)c2ccc(Oc3ccc(Cl)cc3)nc2)cc1
InChI:   InChI=1/C19H13Cl2N3O3/c20-13-2-6-15(7-3-13)23-19(26)24-18(25)12-1-10-17(22-11-12)27-16-8-4-14(21)5-9-16/h1-11H,(H2,23,24,25,26)

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Potential Energy
Epot(MMFF94)=85.6261 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.237 g/mol  logS: -5.88781  SlogP: 5.1426  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0265128  Sterimol/B1: 3.1696  Sterimol/B2: 3.96111  Sterimol/B3: 4.91157
  Sterimol/B4: 6.15854  Sterimol/L: 20.7619 
 
 Surface and Volume Properties
  Accessible surface: 652.372  Positive charged surface: 301.116  Negative charged surface: 351.257  Volume: 339.875
  Hydrophobic surface: 553.726  Hydrophilic surface: 98.646
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.