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NCID-ZINC05353536

 MMsINC code: MMs02454618
Type: Neutral
Formula: C16H14Cl4N2
SMILES:   Clc1cc(ccc1)C(Cl)(N=NC(Cl)(C)c1ccc(Cl)cc1)C
InChI:   InChI=1/C16H14Cl4N2/c1-15(19,11-6-8-13(17)9-7-11)21-22-16(2,20)12-4-3-5-14(18)10-12/h3-10H,1-2H3/b22-21+/t15-,16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.5811 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.114 g/mol  logS: -6.93124  SlogP: 7.5918  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.299747  Sterimol/B1: 2.17641  Sterimol/B2: 4.11993  Sterimol/B3: 5.49349
  Sterimol/B4: 7.75848  Sterimol/L: 13.0923 
 
 Surface and Volume Properties
  Accessible surface: 583.779  Positive charged surface: 201.763  Negative charged surface: 382.016  Volume: 323.375
  Hydrophobic surface: 450.207  Hydrophilic surface: 133.572
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02454619
NCID-ZINC05353536