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ENAMINE-ZINC05442792

 MMsINC code: MMs01612742
Type: Neutral
Formula: C23H25ClN2O2
SMILES:   Clc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)NC1CCCc2c1cccc2
InChI:   InChI=1/C23H25ClN2O2/c24-19-10-8-18(9-11-19)23(28)26-14-12-17(13-15-26)22(27)25-21-7-3-5-16-4-1-2-6-20(16)21/h1-2,4,6,8-11,17,21H,3,5,7,12-15H2,(H,25,27)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.3093 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.918 g/mol  logS: -5.3095  SlogP: 4.48147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.050115  Sterimol/B1: 3.01728  Sterimol/B2: 3.08162  Sterimol/B3: 4.34129
  Sterimol/B4: 7.12561  Sterimol/L: 18.8372 
 
 Surface and Volume Properties
  Accessible surface: 655.37  Positive charged surface: 393.437  Negative charged surface: 261.933  Volume: 378.625
  Hydrophobic surface: 596.922  Hydrophilic surface: 58.448
 
 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: no related molecules available.