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AURORAFEINCHEMIE-ZINC03222643

 MMsINC code: MMs00455731
Type: Neutral
Formula: C19H27ClN2O2
SMILES:   Clc1ccccc1C(=O)NC(C(C)C)C(=O)NC1CCCCCC1
InChI:   InChI=1/C19H27ClN2O2/c1-13(2)17(19(24)21-14-9-5-3-4-6-10-14)22-18(23)15-11-7-8-12-16(15)20/h7-8,11-14,17H,3-6,9-10H2,1-2H3,(H,21,24)(H,22,23)/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.5859 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.89 g/mol  logS: -5.15498  SlogP: 3.9334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0735478  Sterimol/B1: 2.4047  Sterimol/B2: 3.9967  Sterimol/B3: 4.29251
  Sterimol/B4: 7.75813  Sterimol/L: 17.2936 
 
 Surface and Volume Properties
  Accessible surface: 611.164  Positive charged surface: 386.379  Negative charged surface: 224.785  Volume: 348.125
  Hydrophobic surface: 531.637  Hydrophilic surface: 79.527
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.