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CHEMBLOCK-ZINC04753296

 MMsINC code: MMs00577071
Type: Neutral
Formula: C20H20ClN3O2
SMILES:   Clc1ccc(cc1)-c1nc(on1)CCCC(=O)Nc1cc(C)c(cc1)C
InChI:   InChI=1/C20H20ClN3O2/c1-13-6-11-17(12-14(13)2)22-18(25)4-3-5-19-23-20(24-26-19)15-7-9-16(21)10-8-15/h6-12H,3-5H2,1-2H3,(H,22,25)

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Potential Energy
Epot(MMFF94)=91.7506 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.852 g/mol  logS: -6.98101  SlogP: 4.96821  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0471435  Sterimol/B1: 2.6846  Sterimol/B2: 2.99967  Sterimol/B3: 4.9397
  Sterimol/B4: 6.673  Sterimol/L: 21.381 
 
 Surface and Volume Properties
  Accessible surface: 673.291  Positive charged surface: 370.754  Negative charged surface: 302.536  Volume: 347.5
  Hydrophobic surface: 582.091  Hydrophilic surface: 91.2
 
 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.