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IBS-ZINC02317221

 MMsINC code: MMs01830926
Type: Neutral
Formula: C19H18ClN3O3
SMILES:   Clc1ccc(nc1)NC(=O)C=1C(=O)N(c2c(cccc2)C=1O)CCCC
InChI:   InChI=1/C19H18ClN3O3/c1-2-3-10-23-14-7-5-4-6-13(14)17(24)16(19(23)26)18(25)22-15-9-8-12(20)11-21-15/h4-9,11,24H,2-3,10H2,1H3,(H,21,22,25)

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Potential Energy
Epot(MMFF94)=80.6358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.824 g/mol  logS: -4.62091  SlogP: 3.7895  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0410219  Sterimol/B1: 2.12186  Sterimol/B2: 2.15258  Sterimol/B3: 3.97432
  Sterimol/B4: 9.60664  Sterimol/L: 18.0938 
 
 Surface and Volume Properties
  Accessible surface: 614.755  Positive charged surface: 347.886  Negative charged surface: 266.869  Volume: 337
  Hydrophobic surface: 471.331  Hydrophilic surface: 143.424
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.