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FDA-ZINC01542929

 MMsINC code: MMs01725625
Type: Neutral
Formula: C26H27ClN2O
SMILES:   Clc1ccc(cc1)C(=O)CN(CCCN1c2c(CCc3c1cccc3)cccc2)C
InChI:   InChI=1/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=138.779 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.968 g/mol  logS: -6.28825  SlogP: 5.78144  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104554  Sterimol/B1: 3.22443  Sterimol/B2: 4.02077  Sterimol/B3: 5.27748
  Sterimol/B4: 8.04245  Sterimol/L: 19.5669 
 
 Surface and Volume Properties
  Accessible surface: 715.282  Positive charged surface: 416.38  Negative charged surface: 298.902  Volume: 416.5
  Hydrophobic surface: 682.995  Hydrophilic surface: 32.287
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs01725626
FDA-ZINC01542929