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ENAMINE-ZINC03396356

 MMsINC code: MMs01417205
Type: Neutral
Formula: C18H20ClN3O3
SMILES:   Clc1ccc(nc1)NC(=O)COC(=O)c1ccc(N(CC)CC)cc1
InChI:   InChI=1/C18H20ClN3O3/c1-3-22(4-2)15-8-5-13(6-9-15)18(24)25-12-17(23)21-16-10-7-14(19)11-20-16/h5-11H,3-4,12H2,1-2H3,(H,20,21,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.5577 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.829 g/mol  logS: -4.13228  SlogP: 3.3767  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0198619  Sterimol/B1: 2.04723  Sterimol/B2: 2.55872  Sterimol/B3: 4.5728
  Sterimol/B4: 7.34683  Sterimol/L: 20.0743 
 
 Surface and Volume Properties
  Accessible surface: 652.467  Positive charged surface: 393.633  Negative charged surface: 258.833  Volume: 336.875
  Hydrophobic surface: 488.092  Hydrophilic surface: 164.375
 
 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.