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CHEMBLOCK-ZINC00756543

 MMsINC code: MMs00509245
Type: Neutral
Formula: C19H20Cl2N2O
SMILES:   Clc1cc(Cl)ccc1C(=O)NC1CCN(CC1)Cc1ccccc1
InChI:   InChI=1/C19H20Cl2N2O/c20-15-6-7-17(18(21)12-15)19(24)22-16-8-10-23(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,22,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.7082 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.288 g/mol  logS: -5.21776  SlogP: 4.6542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0857854  Sterimol/B1: 2.55542  Sterimol/B2: 3.17053  Sterimol/B3: 5.52455
  Sterimol/B4: 6.49354  Sterimol/L: 18.4886 
 
 Surface and Volume Properties
  Accessible surface: 614.904  Positive charged surface: 330.588  Negative charged surface: 284.316  Volume: 334.625
  Hydrophobic surface: 582.547  Hydrophilic surface: 32.357
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00509246
CHEMBLOCK-ZINC00756543