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ENAMINE-ZINC05342145

 MMsINC code: MMs01608047
Type: Neutral
Formula: C19H26ClN3O3
SMILES:   Clc1ccc(cc1)CNC(=O)CN1C(=O)C(NC1=O)(CCCCCC)C
InChI:   InChI=1/C19H26ClN3O3/c1-3-4-5-6-11-19(2)17(25)23(18(26)22-19)13-16(24)21-12-14-7-9-15(20)10-8-14/h7-10H,3-6,11-13H2,1-2H3,(H,21,24)(H,22,26)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.6358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.888 g/mol  logS: -5.62632  SlogP: 3.5035  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.032224  Sterimol/B1: 3.27737  Sterimol/B2: 3.95764  Sterimol/B3: 4.0245
  Sterimol/B4: 4.16179  Sterimol/L: 24.0391 
 
 Surface and Volume Properties
  Accessible surface: 692.273  Positive charged surface: 422.755  Negative charged surface: 269.518  Volume: 362.875
  Hydrophobic surface: 511.066  Hydrophilic surface: 181.207
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.