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PUBCHEM-ZINC05977422

 MMsINC code: MMs03472856
Type: Neutral
Formula: C19H19Cl3N2O2
SMILES:   Clc1cc(Cl)ccc1/C(=N/NC(=O)C(Oc1ccc(Cl)cc1C)C)/CC
InChI:   InChI=1/C19H19Cl3N2O2/c1-4-17(15-7-5-14(21)10-16(15)22)23-24-19(25)12(3)26-18-8-6-13(20)9-11(18)2/h5-10,12H,4H2,1-3H3,(H,24,25)/b23-17-/t12-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.192 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.732 g/mol  logS: -6.81345  SlogP: 5.65302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0742984  Sterimol/B1: 2.16405  Sterimol/B2: 3.7073  Sterimol/B3: 5.31771
  Sterimol/B4: 9.36504  Sterimol/L: 16.7574 
 
 Surface and Volume Properties
  Accessible surface: 670.204  Positive charged surface: 300.923  Negative charged surface: 369.281  Volume: 366.625
  Hydrophobic surface: 582.326  Hydrophilic surface: 87.878
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.