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IBS-ZINC05482936

 MMsINC code: MMs01952389
Type: Neutral
Formula: C18H13ClF2N2O3
SMILES:   Clc1ccccc1OC(C(=O)Nc1onc(c1)-c1cc(F)c(F)cc1)C
InChI:   InChI=1/C18H13ClF2N2O3/c1-10(25-16-5-3-2-4-12(16)19)18(24)22-17-9-15(23-26-17)11-6-7-13(20)14(21)8-11/h2-10H,1H3,(H,22,24)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=99.3639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.762 g/mol  logS: -6.43594  SlogP: 4.6792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0224263  Sterimol/B1: 2.38681  Sterimol/B2: 2.73912  Sterimol/B3: 4.6737
  Sterimol/B4: 6.33509  Sterimol/L: 20.1548 
 
 Surface and Volume Properties
  Accessible surface: 601.671  Positive charged surface: 268.702  Negative charged surface: 332.969  Volume: 315.75
  Hydrophobic surface: 494.405  Hydrophilic surface: 107.266
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.