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PUBCHEM-ZINC02807754

 MMsINC code: MMs02931376
Type: Neutral
Formula: C25H25ClN2O
SMILES:   Clc1ccccc1CC(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C25H25ClN2O/c26-23-14-8-7-13-22(23)19-24(29)27-15-17-28(18-16-27)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,25H,15-19H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.371 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.941 g/mol  logS: -5.80331  SlogP: 4.91177  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0929936  Sterimol/B1: 2.31089  Sterimol/B2: 3.5066  Sterimol/B3: 5.01314
  Sterimol/B4: 9.36558  Sterimol/L: 17.3872 
 
 Surface and Volume Properties
  Accessible surface: 674.803  Positive charged surface: 398.032  Negative charged surface: 276.771  Volume: 400.875
  Hydrophobic surface: 652.685  Hydrophilic surface: 22.118
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02931377
PUBCHEM-ZINC02807754