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ENAMINE-ZINC01459311

 MMsINC code: MMs01240510
Type: Neutral
Formula: C25H25ClN2O
SMILES:   Clc1ccc(cc1)CC(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C25H25ClN2O/c26-23-13-11-20(12-14-23)19-24(29)27-15-17-28(18-16-27)25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,25H,15-19H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.189 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: 0.0892594  Sterimol/B1: 2.41932  Sterimol/B2: 3.49016  Sterimol/B3: 4.37518
  Sterimol/B4: 9.24628  Sterimol/L: 18.6401 
 
 Surface and Volume Properties
  Accessible surface: 689.579  Positive charged surface: 396.942  Negative charged surface: 292.638  Volume: 402.125
  Hydrophobic surface: 663.489  Hydrophilic surface: 26.09
 
 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


MMs01240511
ENAMINE-ZINC01459311