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ENAMINE-ZINC00245767

 MMsINC code: MMs01227532
Type: Tautomer
Formula: C10H11Cl3N2
SMILES:   ClC(Cl)(Cl)C(NC(C)c1ccccc1)=N
InChI:   InChI=1/C10H11Cl3N2/c1-7(8-5-3-2-4-6-8)15-9(14)10(11,12)13/h2-7H,1H3,(H2,14,15)/t7-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.4477 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.571 g/mol  logS: -4.46674  SlogP: 4.20007  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.147954  Sterimol/B1: 2.30229  Sterimol/B2: 2.30267  Sterimol/B3: 5.01823
  Sterimol/B4: 6.04202  Sterimol/L: 13.3264 
 
 Surface and Volume Properties
  Accessible surface: 453.473  Positive charged surface: 162.701  Negative charged surface: 290.773  Volume: 227.125
  Hydrophobic surface: 228.693  Hydrophilic surface: 224.78
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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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Parent related molecule:


MMs01227531
ENAMINE-ZINC00245767