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ENAMINE-ZINC03610909

 MMsINC code: MMs01523972
Type: Neutral
Formula: C19H24ClN3O3
SMILES:   Clc1ccccc1C1(NC(=O)N(CC(=O)NC2CCCCCC2)C1=O)C
InChI:   InChI=1/C19H24ClN3O3/c1-19(14-10-6-7-11-15(14)20)17(25)23(18(26)22-19)12-16(24)21-13-8-4-2-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(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)=74.4052 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.872 g/mol  logS: -5.02282  SlogP: 3.2575  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0756788  Sterimol/B1: 2.08068  Sterimol/B2: 3.03612  Sterimol/B3: 4.89081
  Sterimol/B4: 6.00155  Sterimol/L: 18.3265 
 
 Surface and Volume Properties
  Accessible surface: 611.178  Positive charged surface: 377.02  Negative charged surface: 234.158  Volume: 346.75
  Hydrophobic surface: 481.863  Hydrophilic surface: 129.315
 
 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.