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ENAMINE-ZINC03464201

 MMsINC code: MMs01458723
Type: Neutral
Formula: C19H26ClN3O3
SMILES:   Clc1ccc(cc1)C1(NC(=O)N(CC(=O)N(C(C)C)C(C)C)C1=O)CC
InChI:   InChI=1/C19H26ClN3O3/c1-6-19(14-7-9-15(20)10-8-14)17(25)22(18(26)21-19)11-16(24)23(12(2)3)13(4)5/h7-10,12-13H,6,11H2,1-5H3,(H,21,26)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.7601 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.888 g/mol  logS: -4.44108  SlogP: 3.454  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11034  Sterimol/B1: 2.53031  Sterimol/B2: 4.10295  Sterimol/B3: 4.2729
  Sterimol/B4: 7.44808  Sterimol/L: 16.3664 
 
 Surface and Volume Properties
  Accessible surface: 618.854  Positive charged surface: 344.045  Negative charged surface: 274.809  Volume: 363
  Hydrophobic surface: 444.933  Hydrophilic surface: 173.921
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.