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PUBCHEM-ZINC01008879

 MMsINC code: MMs02755837
Type: Neutral
Formula: C19H18Cl2N2O3
SMILES:   Clc1ccc(Cl)cc1C1=NN(C(=O)C)C(C1)c1cc(OC)c(OC)cc1
InChI:   InChI=1/C19H18Cl2N2O3/c1-11(24)23-17(12-4-7-18(25-2)19(8-12)26-3)10-16(22-23)14-9-13(20)5-6-15(14)21/h4-9,17H,10H2,1-3H3/t17-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.713 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.27 g/mol  logS: -5.33842  SlogP: 4.8037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.21409  Sterimol/B1: 2.33512  Sterimol/B2: 3.69867  Sterimol/B3: 5.7769
  Sterimol/B4: 10.1315  Sterimol/L: 15.396 
 
 Surface and Volume Properties
  Accessible surface: 630.244  Positive charged surface: 376.793  Negative charged surface: 253.451  Volume: 348.375
  Hydrophobic surface: 572.291  Hydrophilic surface: 57.953
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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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Ions/Tautomers related molecules: no related molecules available.