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ENAMINE-ZINC03456855

 MMsINC code: MMs01454561
Type: Neutral
Formula: C19H24ClN3O3
SMILES:   Clc1ccc(cc1)C1(NC(=O)N(CC(=O)NCC2CCCCC2)C1=O)C
InChI:   InChI=1/C19H24ClN3O3/c1-19(14-7-9-15(20)10-8-14)17(25)23(18(26)22-19)12-16(24)21-11-13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3,(H,21,24)(H,22,26)/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.6971 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.872 g/mol  logS: -5.21083  SlogP: 3.115  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0548929  Sterimol/B1: 2.51301  Sterimol/B2: 2.96318  Sterimol/B3: 4.60202
  Sterimol/B4: 8.54879  Sterimol/L: 17.35 
 
 Surface and Volume Properties
  Accessible surface: 643.282  Positive charged surface: 394.01  Negative charged surface: 249.271  Volume: 351.75
  Hydrophobic surface: 504.927  Hydrophilic surface: 138.355
 
 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.