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ENAMINE-ZINC06882133

 MMsINC code: MMs01710718
Type: Neutral
Formula: C19H23ClN2O
SMILES:   Clc1ccccc1C(N(CC(=O)Nc1c(cccc1C)C)C)C
InChI:   InChI=1/C19H23ClN2O/c1-13-8-7-9-14(2)19(13)21-18(23)12-22(4)15(3)16-10-5-6-11-17(16)20/h5-11,15H,12H2,1-4H3,(H,21,23)/t15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=132.227 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.859 g/mol  logS: -4.6352  SlogP: 4.68384  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0924833  Sterimol/B1: 2.48136  Sterimol/B2: 2.59563  Sterimol/B3: 4.80021
  Sterimol/B4: 6.333  Sterimol/L: 16.7257 
 
 Surface and Volume Properties
  Accessible surface: 581.714  Positive charged surface: 346.918  Negative charged surface: 234.795  Volume: 330
  Hydrophobic surface: 543.452  Hydrophilic surface: 38.262
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs01710719
ENAMINE-ZINC06882133