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CHEMBLOCK-ZINC01425914

 MMsINC code: MMs00520943
Type: Neutral
Formula: C19H13Cl2FN2O3
SMILES:   Clc1cc(Cl)cnc1Oc1ccc(OCC(=O)Nc2ccccc2F)cc1
InChI:   InChI=1/C19H13Cl2FN2O3/c20-12-9-15(21)19(23-10-12)27-14-7-5-13(6-8-14)26-11-18(25)24-17-4-2-1-3-16(17)22/h1-10H,11H2,(H,24,25)

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Potential Energy
Epot(MMFF94)=114.85 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.228 g/mol  logS: -6.03108  SlogP: 5.3373  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0423083  Sterimol/B1: 2.85617  Sterimol/B2: 4.65867  Sterimol/B3: 4.75493
  Sterimol/B4: 5.46531  Sterimol/L: 20.7266 
 
 Surface and Volume Properties
  Accessible surface: 651.277  Positive charged surface: 312.141  Negative charged surface: 339.136  Volume: 338.25
  Hydrophobic surface: 591.669  Hydrophilic surface: 59.608
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.