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ENAMINE-ZINC03464204

 MMsINC code: MMs01458725
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-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.3771 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: 0.124281  Sterimol/B1: 2.26011  Sterimol/B2: 3.9686  Sterimol/B3: 4.3305
  Sterimol/B4: 9.93843  Sterimol/L: 14.1558 
 
 Surface and Volume Properties
  Accessible surface: 627.273  Positive charged surface: 349.151  Negative charged surface: 278.122  Volume: 364.25
  Hydrophobic surface: 449.773  Hydrophilic surface: 177.5
 
 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.