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CHEMBRIDGE-ZINC00655963

 MMsINC code: MMs00638080
Type: Neutral
Formula: C19H16Cl4N2O2
SMILES:   Clc1cc(Cl)ccc1C(=O)N1CCCN(CC1)C(=O)c1ccc(Cl)cc1Cl
InChI:   InChI=1/C19H16Cl4N2O2/c20-12-2-4-14(16(22)10-12)18(26)24-6-1-7-25(9-8-24)19(27)15-5-3-13(21)11-17(15)23/h2-5,10-11H,1,6-9H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.6658 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 446.161 g/mol  logS: -6.54727  SlogP: 5.2885  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.204291  Sterimol/B1: 3.03317  Sterimol/B2: 4.18226  Sterimol/B3: 6.0757
  Sterimol/B4: 6.53379  Sterimol/L: 16.224 
 
 Surface and Volume Properties
  Accessible surface: 609.107  Positive charged surface: 251.049  Negative charged surface: 358.058  Volume: 363.625
  Hydrophobic surface: 570.118  Hydrophilic surface: 38.989
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.