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PUBCHEM-ZINC01217337

 MMsINC code: MMs02789524
Type: Neutral
Formula: C17H19Cl2N3O
SMILES:   Clc1cc(NC(=O)Nc2ccc(N(CC)CC)cc2)ccc1Cl
InChI:   InChI=1/C17H19Cl2N3O/c1-3-22(4-2)14-8-5-12(6-9-14)20-17(23)21-13-7-10-15(18)16(19)11-13/h5-11H,3-4H2,1-2H3,(H2,20,21,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.1741 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.265 g/mol  logS: -5.30246  SlogP: 5.4836  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0357576  Sterimol/B1: 2.87255  Sterimol/B2: 3.20735  Sterimol/B3: 3.39107
  Sterimol/B4: 6.55923  Sterimol/L: 18.3332 
 
 Surface and Volume Properties
  Accessible surface: 593.257  Positive charged surface: 319.405  Negative charged surface: 273.851  Volume: 324.625
  Hydrophobic surface: 476.136  Hydrophilic surface: 117.121
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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: no related molecules available.